• Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
  • Notice: Undefined index: field_name
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 244
  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
  • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 6.06 3.29 -15.59 6 9 0 149 678.693 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    TRPA1-4-E Transient Receptor Potential Cation Channel Subfamily A Member 1 (cluster #4 Of 5), Eukaryotic Eukaryotes 1900 1.33 Binding ≤ 10μM
    TRPA1-5-E Transient Receptor Potential Cation Channel Subfamily A Member 1 (cluster #5 Of 6), Eukaryotic Eukaryotes 5813 1.22 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    TRPA1_HUMAN O75762 Transient Receptor Potential Cation Channel Subfamily A Member 1, Human 1900 1.33 Binding ≤ 10μM
    TRPA1_RAT Q6RI86 Transient Receptor Potential Cation Channel Subfamily A Member 1, Rat 5813 1.22 Functional ≤ 10μM
    TRPA1_HUMAN O75762 Transient Receptor Potential Cation Channel Subfamily A Member 1, Human 1120 1.39 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.25 3.02 -27.34 1 1 1 14 100.166 2
    Mid Mid (pH 6-8) 2.25 2.45 -1.96 0 1 0 12 99.158 2

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.18 5.48 -12.6 1 4 0 59 262.268 1

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    CAH1-4-E Carbonic Anhydrase I (cluster #4 Of 12), Eukaryotic Eukaryotes 1080 0.76 Binding ≤ 10μM
    CAH12-2-E Carbonic Anhydrase XII (cluster #2 Of 9), Eukaryotic Eukaryotes 4090 0.69 Binding ≤ 10μM
    CAH2-13-E Carbonic Anhydrase II (cluster #13 Of 15), Eukaryotic Eukaryotes 470 0.81 Binding ≤ 10μM
    CAH6-8-E Carbonic Anhydrase VI (cluster #8 Of 8), Eukaryotic Eukaryotes 4720 0.68 Binding ≤ 10μM
    CAH9-3-E Carbonic Anhydrase IX (cluster #3 Of 11), Eukaryotic Eukaryotes 4450 0.68 Binding ≤ 10μM
    Q2PCB5-2-E Carbonic Anhydrase (cluster #2 Of 2), Eukaryotic Eukaryotes 3210 0.70 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 470 0.81 Binding ≤ 1μM
    Q2PCB5_DICLA Q2PCB5 Carbonic Anhydrase, Dicla 3210 0.70 Binding ≤ 10μM
    CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 1080 0.76 Binding ≤ 10μM
    CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 470 0.81 Binding ≤ 10μM
    CAH9_HUMAN Q16790 Carbonic Anhydrase IX, Human 4450 0.68 Binding ≤ 10μM
    CAH6_HUMAN P23280 Carbonic Anhydrase VI, Human 4720 0.68 Binding ≤ 10μM
    CAH12_HUMAN O43570 Carbonic Anhydrase XII, Human 4090 0.69 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.88 0.14 -48.46 2 4 -1 81 153.113 1

    Analogs

    13779018
    13779018

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -4.04 -4.73 -52.73 3 8 -1 139 188.119 3
    Hi High (pH 8-9.5) -4.04 -5.08 -89.4 2 8 -2 137 187.111 3
    Mid Mid (pH 6-8) -4.04 -7.92 -16.73 4 8 0 132 189.127 3

    Analogs

    22066252
    22066252

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    FOLH1-1-E Glutamate Carboxypeptidase II (cluster #1 Of 2), Eukaryotic Eukaryotes 9500 0.54 Binding ≤ 10μM
    GRIA1-1-E Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 4), Eukaryotic Eukaryotes 80 0.76 Binding ≤ 10μM
    GRIA2-4-E Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic Eukaryotes 80 0.76 Binding ≤ 10μM
    GRIA3-4-E Glutamate Receptor Ionotropic, AMPA 3 (cluster #4 Of 4), Eukaryotic Eukaryotes 80 0.76 Binding ≤ 10μM
    GRIA4-4-E Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic Eukaryotes 80 0.76 Binding ≤ 10μM
    GRIK1-3-E Glutamate Receptor Ionotropic Kainate 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 171 0.73 Binding ≤ 10μM
    GRIK2-3-E Glutamate Receptor Ionotropic Kainate 2 (cluster #3 Of 3), Eukaryotic Eukaryotes 150 0.73 Binding ≤ 10μM
    GRIK3-3-E Glutamate Receptor Ionotropic Kainate 3 (cluster #3 Of 3), Eukaryotic Eukaryotes 1670 0.62 Binding ≤ 10μM
    GRIK4-2-E Glutamate Receptor Ionotropic Kainate 4 (cluster #2 Of 2), Eukaryotic Eukaryotes 150 0.73 Binding ≤ 10μM
    GRIK5-1-E Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic Eukaryotes 150 0.73 Binding ≤ 10μM
    GRM1-2-E Metabotropic Glutamate Receptor 1 (cluster #2 Of 3), Eukaryotic Eukaryotes 200 0.72 Binding ≤ 10μM
    GRM3-1-E Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.82 Binding ≤ 10μM
    GRM5-2-E Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic Eukaryotes 150 0.73 Binding ≤ 10μM
    GRM7-1-E Metabotropic Glutamate Receptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.82 Binding ≤ 10μM
    GRM8-2-E Metabotropic Glutamate Receptor 8 (cluster #2 Of 2), Eukaryotic Eukaryotes 25 0.82 Binding ≤ 10μM
    Q80T35-1-E Metabotropic Glutamate Receptor 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.82 Binding ≤ 10μM
    Q80T43-1-E Metabotropic Glutamate Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.82 Binding ≤ 10μM
    Q80T47-1-E Metabotropic Glutamate Receptor 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.82 Binding ≤ 10μM
    XCT-1-E Cystine/glutamate Transporter (cluster #1 Of 2), Eukaryotic Eukaryotes 5000 0.57 Binding ≤ 10μM
    GRM1-3-E Metabotropic Glutamate Receptor 1 (cluster #3 Of 5), Eukaryotic Eukaryotes 1100 0.64 Functional ≤ 10μM
    GRM5-4-E Metabotropic Glutamate Receptor 5 (cluster #4 Of 5), Eukaryotic Eukaryotes 55 0.78 Functional ≤ 10μM
    Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 7300 0.55 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    GRIK1_RAT P22756 Glutamate Receptor Ionotropic Kainate 1, Rat 150 0.73 Binding ≤ 1μM
    GRIK2_RAT P42260 Glutamate Receptor Ionotropic Kainate 2, Rat 131.825674 0.74 Binding ≤ 1μM
    GRIK3_RAT P42264 Glutamate Receptor Ionotropic Kainate 3, Rat 150 0.73 Binding ≤ 1μM
    GRIK4_RAT Q01812 Glutamate Receptor Ionotropic Kainate 4, Rat 150 0.73 Binding ≤ 1μM
    GRIK5_RAT Q63273 Glutamate Receptor Ionotropic Kainate 5, Rat 150 0.73 Binding ≤ 1μM
    GRIA1_MOUSE P23818 Glutamate Receptor Ionotropic, AMPA 1, Mouse 80 0.76 Binding ≤ 1μM
    GRIA2_MOUSE P23819 Glutamate Receptor Ionotropic, AMPA 2, Mouse 80 0.76 Binding ≤ 1μM
    GRIA3_MOUSE Q9Z2W9 Glutamate Receptor Ionotropic, AMPA 3, Mouse 80 0.76 Binding ≤ 1μM
    GRIA4_MOUSE Q9Z2W8 Glutamate Receptor Ionotropic, AMPA 4, Mouse 80 0.76 Binding ≤ 1μM
    GRM1_RAT P23385 Metabotropic Glutamate Receptor 1, Rat 200 0.72 Binding ≤ 1μM
    GRM1_HUMAN Q13255 Metabotropic Glutamate Receptor 1, Human 10 0.86 Binding ≤ 1μM
    GRM1_MOUSE P97772 Metabotropic Glutamate Receptor 1, Mouse 25 0.82 Binding ≤ 1μM
    Q80T43_MOUSE Q80T43 Metabotropic Glutamate Receptor 2, Mouse 25 0.82 Binding ≤ 1μM
    GRM3_MOUSE Q9QYS2 Metabotropic Glutamate Receptor 3, Mouse 25 0.82 Binding ≤ 1μM
    Q80T47_MOUSE Q80T47 Metabotropic Glutamate Receptor 5, Mouse 25 0.82 Binding ≤ 1μM
    GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 150 0.73 Binding ≤ 1μM
    GRM5_RAT P31424 Metabotropic Glutamate Receptor 5, Rat 200 0.72 Binding ≤ 1μM
    Q80T35_MOUSE Q80T35 Metabotropic Glutamate Receptor 6, Mouse 25 0.82 Binding ≤ 1μM
    GRM7_MOUSE Q68ED2 Metabotropic Glutamate Receptor 7, Mouse 25 0.82 Binding ≤ 1μM
    GRM8_MOUSE P47743 Metabotropic Glutamate Receptor 8, Mouse 25 0.82 Binding ≤ 1μM
    XCT_HUMAN Q9UPY5 Cystine/glutamate Transporter, Human 5000 0.57 Binding ≤ 10μM
    FOLH1_HUMAN Q04609 Glutamate Carboxypeptidase II, Human 9500 0.54 Binding ≤ 10μM
    GRIK1_RAT P22756 Glutamate Receptor Ionotropic Kainate 1, Rat 150 0.73 Binding ≤ 10μM
    GRIK2_RAT P42260 Glutamate Receptor Ionotropic Kainate 2, Rat 131.825674 0.74 Binding ≤ 10μM
    GRIK3_RAT P42264 Glutamate Receptor Ionotropic Kainate 3, Rat 1380.38426 0.63 Binding ≤ 10μM
    GRIK4_RAT Q01812 Glutamate Receptor Ionotropic Kainate 4, Rat 150 0.73 Binding ≤ 10μM
    GRIK5_RAT Q63273 Glutamate Receptor Ionotropic Kainate 5, Rat 150 0.73 Binding ≤ 10μM
    GRIA1_MOUSE P23818 Glutamate Receptor Ionotropic, AMPA 1, Mouse 1300 0.63 Binding ≤ 10μM
    GRIA2_RAT P19491 Glutamate Receptor Ionotropic, AMPA 2, Rat 1300 0.63 Binding ≤ 10μM
    GRIA2_MOUSE P23819 Glutamate Receptor Ionotropic, AMPA 2, Mouse 80 0.76 Binding ≤ 10μM
    GRIA3_MOUSE Q9Z2W9 Glutamate Receptor Ionotropic, AMPA 3, Mouse 80 0.76 Binding ≤ 10μM
    GRIA3_RAT P19492 Glutamate Receptor Ionotropic, AMPA 3, Rat 1300 0.63 Binding ≤ 10μM
    GRIA4_RAT P19493 Glutamate Receptor Ionotropic, AMPA 4, Rat 1300 0.63 Binding ≤ 10μM
    GRIA4_MOUSE Q9Z2W8 Glutamate Receptor Ionotropic, AMPA 4, Mouse 80 0.76 Binding ≤ 10μM
    GRM1_HUMAN Q13255 Metabotropic Glutamate Receptor 1, Human 10 0.86 Binding ≤ 10μM
    GRM1_RAT P23385 Metabotropic Glutamate Receptor 1, Rat 200 0.72 Binding ≤ 10μM
    GRM1_MOUSE P97772 Metabotropic Glutamate Receptor 1, Mouse 25 0.82 Binding ≤ 10μM
    Q80T43_MOUSE Q80T43 Metabotropic Glutamate Receptor 2, Mouse 25 0.82 Binding ≤ 10μM
    GRM3_MOUSE Q9QYS2 Metabotropic Glutamate Receptor 3, Mouse 25 0.82 Binding ≤ 10μM
    Q80T47_MOUSE Q80T47 Metabotropic Glutamate Receptor 5, Mouse 25 0.82 Binding ≤ 10μM
    GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 150 0.73 Binding ≤ 10μM
    GRM5_RAT P31424 Metabotropic Glutamate Receptor 5, Rat 200 0.72 Binding ≤ 10μM
    Q80T35_MOUSE Q80T35 Metabotropic Glutamate Receptor 6, Mouse 25 0.82 Binding ≤ 10μM
    GRM7_MOUSE Q68ED2 Metabotropic Glutamate Receptor 7, Mouse 25 0.82 Binding ≤ 10μM
    GRM8_MOUSE P47743 Metabotropic Glutamate Receptor 8, Mouse 25 0.82 Binding ≤ 10μM
    GRM1_RAT P23385 Metabotropic Glutamate Receptor 1, Rat 900 0.65 Functional ≤ 10μM
    GRM1_HUMAN Q13255 Metabotropic Glutamate Receptor 1, Human 1100 0.64 Functional ≤ 10μM
    GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 55 0.78 Functional ≤ 10μM
    GRM5_RAT P31424 Metabotropic Glutamate Receptor 5, Rat 900 0.65 Functional ≤ 10μM
    Z50597 Z50597 Rattus Norvegicus 100 0.75 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -4.04 -4.9 -43.55 3 8 -1 139 188.119 3
    Hi High (pH 8-9.5) -4.04 -5.21 -87.71 2 8 -2 137 187.111 3
    Mid Mid (pH 6-8) -4.04 -7.81 -15.85 4 8 0 132 189.127 3

    Analogs

    558
    558

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    5HT3A-5-E Serotonin 3a (5-HT3a) Receptor (cluster #5 Of 5), Eukaryotic Eukaryotes 24 0.97 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    5HT3A_HUMAN P46098 Serotonin 3a (5-HT3a) Receptor, Human 24 0.97 Binding ≤ 1μM
    5HT3A_HUMAN P46098 Serotonin 3a (5-HT3a) Receptor, Human 24 0.97 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.55 -2.59 -48.05 5 3 1 68 154.189 2
    Hi High (pH 8-9.5) -0.55 -2.98 -5.39 4 3 0 66 153.181 2

    Analogs

    388198
    388198

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    5HT3A-5-E Serotonin 3a (5-HT3a) Receptor (cluster #5 Of 5), Eukaryotic Eukaryotes 24 0.97 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    5HT3A_HUMAN P46098 Serotonin 3a (5-HT3a) Receptor, Human 24 0.97 Binding ≤ 1μM
    5HT3A_HUMAN P46098 Serotonin 3a (5-HT3a) Receptor, Human 24 0.97 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.55 -2.67 -47.53 5 3 1 68 154.189 2
    Hi High (pH 8-9.5) -0.55 -3.12 -5.5 4 3 0 66 153.181 2

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.00 4.46 -50.47 2 6 -1 115 283.215 1

    Analogs

    34618471
    34618471
    34618473
    34618473

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.25 -4.69 -45.38 3 5 -1 100 197.166 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ITAL-2-E Integrin Alpha-L (cluster #2 Of 2), Eukaryotic Eukaryotes 950 0.23 Binding ≤ 10μM
    Z80156-2-O HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other Other 0 0.00 Functional ≤ 10μM
    Z80164-2-O HT-1080 (Fibrosarcoma Cells) (cluster #2 Of 6), Other Other 0 0.00 Functional ≤ 10μM
    Z81020-2-O HepG2 (Hepatoblastoma Cells) (cluster #2 Of 8), Other Other 3160 0.21 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    ITAL_HUMAN P20701 Leukocyte Adhesion Glycoprotein LFA-1 Alpha, Human 950 0.23 Binding ≤ 1μM
    ITAL_HUMAN P20701 Leukocyte Adhesion Glycoprotein LFA-1 Alpha, Human 950 0.23 Binding ≤ 10μM
    Z81020 Z81020 HepG2 (Hepatoblastoma Cells) 3160 0.21 Functional ≤ 10μM
    Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 0.1 0.38 Functional ≤ 10μM
    Z80164 Z80164 HT-1080 (Fibrosarcoma Cells) 0.47 0.35 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.69 3.89 -15.77 4 7 0 132 514.659 4

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    GABR1-2-E GABA-B Receptor 1 (cluster #2 Of 3), Eukaryotic Eukaryotes 60 1.44 Binding ≤ 10μM
    GABR2-2-E GABA-B Receptor 2 (cluster #2 Of 3), Eukaryotic Eukaryotes 60 1.44 Binding ≤ 10μM
    GBRA1-7-E GABA Receptor Alpha-1 Subunit (cluster #7 Of 8), Eukaryotic Eukaryotes 10000 1.00 Binding ≤ 10μM
    GBRA2-8-E GABA Receptor Alpha-2 Subunit (cluster #8 Of 8), Eukaryotic Eukaryotes 25 1.52 Binding ≤ 10μM
    GBRA3-8-E GABA Receptor Alpha-3 Subunit (cluster #8 Of 8), Eukaryotic Eukaryotes 25 1.52 Binding ≤ 10μM
    GBRA4-7-E GABA Receptor Alpha-4 Subunit (cluster #7 Of 7), Eukaryotic Eukaryotes 25 1.52 Binding ≤ 10μM
    GBRA5-8-E GABA Receptor Alpha-5 Subunit (cluster #8 Of 8), Eukaryotic Eukaryotes 25 1.52 Binding ≤ 10μM
    GBRA6-7-E GABA Receptor Alpha-6 Subunit (cluster #7 Of 8), Eukaryotic Eukaryotes 25 1.52 Binding ≤ 10μM
    GBRB1-6-E GABA Receptor Beta-1 Subunit (cluster #6 Of 6), Eukaryotic Eukaryotes 200 1.34 Binding ≤ 10μM
    GBRB2-5-E GABA Receptor Beta-2 Subunit (cluster #5 Of 7), Eukaryotic Eukaryotes 200 1.34 Binding ≤ 10μM
    GBRB3-4-E GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic Eukaryotes 200 1.34 Binding ≤ 10μM
    GBRD-3-E GABA Receptor Delta Subunit (cluster #3 Of 5), Eukaryotic Eukaryotes 200 1.34 Binding ≤ 10μM
    GBRE-3-E GABA Receptor Epsilon Subunit (cluster #3 Of 5), Eukaryotic Eukaryotes 200 1.34 Binding ≤ 10μM
    GBRG1-6-E GABA Receptor Gamma-1 Subunit (cluster #6 Of 7), Eukaryotic Eukaryotes 200 1.34 Binding ≤ 10μM
    GBRG2-6-E GABA Receptor Gamma-2 Subunit (cluster #6 Of 7), Eukaryotic Eukaryotes 200 1.34 Binding ≤ 10μM
    GBRG3-7-E GABA Receptor Gamma-3 Subunit (cluster #7 Of 7), Eukaryotic Eukaryotes 200 1.34 Binding ≤ 10μM
    GBRP-3-E GABA Receptor Pi Subunit (cluster #3 Of 6), Eukaryotic Eukaryotes 200 1.34 Binding ≤ 10μM
    GBRT-5-E GABA Receptor Theta Subunit (cluster #5 Of 5), Eukaryotic Eukaryotes 200 1.34 Binding ≤ 10μM
    S6A11-1-E GABA Transporter 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 1.03 Binding ≤ 10μM
    S6A13-1-E GABA Transporter 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 1.06 Binding ≤ 10μM
    SC6A1-2-E GABA Transporter 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 5000 1.06 Binding ≤ 10μM
    GABR1-1-E GABA-B Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1700 1.15 Functional ≤ 10μM
    GBRA1-5-E GABA Receptor Alpha-1 Subunit (cluster #5 Of 5), Eukaryotic Eukaryotes 1450 1.17 Functional ≤ 10μM
    GBRA2-4-E GABA Receptor Alpha-2 Subunit (cluster #4 Of 4), Eukaryotic Eukaryotes 1450 1.17 Functional ≤ 10μM
    GBRA3-4-E GABA Receptor Alpha-3 Subunit (cluster #4 Of 4), Eukaryotic Eukaryotes 1450 1.17 Functional ≤ 10μM
    GBRA4-4-E GABA Receptor Alpha-4 Subunit (cluster #4 Of 4), Eukaryotic Eukaryotes 1450 1.17 Functional ≤ 10μM
    GBRA5-4-E GABA Receptor Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic Eukaryotes 3000 1.10 Functional ≤ 10μM
    GBRA6-4-E GABA Receptor Alpha-6 Subunit (cluster #4 Of 4), Eukaryotic Eukaryotes 1500 1.16 Functional ≤ 10μM
    GBRB3-2-E GABA Receptor Beta-3 Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 3000 1.10 Functional ≤ 10μM
    GBRG2-2-E GABA Receptor Gamma-2 Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 3000 1.10 Functional ≤ 10μM
    GBRR1-4-E GABA Receptor Rho-1 Subunit (cluster #4 Of 4), Eukaryotic Eukaryotes 800 1.22 Functional ≤ 10μM
    GBRR2-2-E GABA Receptor Rho-2 Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 1700 1.15 Functional ≤ 10μM
    GBRR3-1-E GABA Receptor Rho-3 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 1700 1.15 Functional ≤ 10μM
    S6A11-2-E GABA Transporter 3 (cluster #2 Of 2), Eukaryotic Eukaryotes 3000 1.10 Functional ≤ 10μM
    S6A12-1-E Betaine Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 1.10 Functional ≤ 10μM
    S6A13-2-E GABA Transporter 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 3000 1.10 Functional ≤ 10μM
    SC6A1-1-E GABA Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 1.10 Functional ≤ 10μM
    Z104301-3-O GABA-A Receptor; Anion Channel (cluster #3 Of 8), Other Other 49 1.46 Binding ≤ 10μM
    Z50597-3-O Rattus Norvegicus (cluster #3 Of 5), Other Other 8600 1.01 Binding ≤ 10μM
    Z50597-7-O Rattus Norvegicus (cluster #7 Of 12), Other Other 70 1.43 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    GBRA1_HUMAN P14867 GABA Receptor Alpha-1 Subunit, Human 200 1.34 Binding ≤ 1μM
    GBRA2_HUMAN P47869 GABA Receptor Alpha-2 Subunit, Human 200 1.34 Binding ≤ 1μM
    GBRA2_RAT P23576 GABA Receptor Alpha-2 Subunit, Rat 22 1.53 Binding ≤ 1μM
    GBRA3_HUMAN P34903 GABA Receptor Alpha-3 Subunit, Human 200 1.34 Binding ≤ 1μM
    GBRA4_HUMAN P48169 GABA Receptor Alpha-4 Subunit, Human 200 1.34 Binding ≤ 1μM
    GBRA5_HUMAN P31644 GABA Receptor Alpha-5 Subunit, Human 200 1.34 Binding ≤ 1μM
    GBRA6_HUMAN Q16445 GABA Receptor Alpha-6 Subunit, Human 200 1.34 Binding ≤ 1μM
    GBRB1_HUMAN P18505 GABA Receptor Beta-1 Subunit, Human 200 1.34 Binding ≤ 1μM
    GBRB2_HUMAN P47870 GABA Receptor Beta-2 Subunit, Human 200 1.34 Binding ≤ 1μM
    GBRB3_HUMAN P28472 GABA Receptor Beta-3 Subunit, Human 200 1.34 Binding ≤ 1μM
    GBRD_HUMAN O14764 GABA Receptor Delta Subunit, Human 200 1.34 Binding ≤ 1μM
    GBRE_HUMAN P78334 GABA Receptor Epsilon Subunit, Human 200 1.34 Binding ≤ 1μM
    GBRG1_RAT P23574 GABA Receptor Gamma-1 Subunit, Rat 33 1.50 Binding ≤ 1μM
    GBRG1_HUMAN Q8N1C3 GABA Receptor Gamma-1 Subunit, Human 200 1.34 Binding ≤ 1μM
    GBRG2_HUMAN P18507 GABA Receptor Gamma-2 Subunit, Human 200 1.34 Binding ≤ 1μM
    GBRG3_HUMAN Q99928 GABA Receptor Gamma-3 Subunit, Human 200 1.34 Binding ≤ 1μM
    GBRP_HUMAN O00591 GABA Receptor Pi Subunit, Human 200 1.34 Binding ≤ 1μM
    GBRT_HUMAN Q9UN88 GABA Receptor Theta Subunit, Human 200 1.34 Binding ≤ 1μM
    Z104301 Z104301 GABA-A Receptor; Anion Channel 100 1.40 Binding ≤ 1μM
    GABR1_RAT Q9Z0U4 GABA-B Receptor 1, Rat 17 1.55 Binding ≤ 1μM
    GABR1_HUMAN Q9UBS5 GABA-B Receptor 1, Human 25 1.52 Binding ≤ 1μM
    GABR2_RAT O88871 GABA-B Receptor 2, Rat 17 1.55 Binding ≤ 1μM
    GABR2_HUMAN O75899 GABA-B Receptor 2, Human 25 1.52 Binding ≤ 1μM
    GBRA1_HUMAN P14867 GABA Receptor Alpha-1 Subunit, Human 200 1.34 Binding ≤ 10μM
    GBRA1_RAT P62813 GABA Receptor Alpha-1 Subunit, Rat 10000 1.00 Binding ≤ 10μM
    GBRA2_HUMAN P47869 GABA Receptor Alpha-2 Subunit, Human 200 1.34 Binding ≤ 10μM
    GBRA2_RAT P23576 GABA Receptor Alpha-2 Subunit, Rat 22 1.53 Binding ≤ 10μM
    GBRA3_HUMAN P34903 GABA Receptor Alpha-3 Subunit, Human 200 1.34 Binding ≤ 10μM
    GBRA4_HUMAN P48169 GABA Receptor Alpha-4 Subunit, Human 200 1.34 Binding ≤ 10μM
    GBRA5_HUMAN P31644 GABA Receptor Alpha-5 Subunit, Human 200 1.34 Binding ≤ 10μM
    GBRA6_HUMAN Q16445 GABA Receptor Alpha-6 Subunit, Human 200 1.34 Binding ≤ 10μM
    GBRB1_HUMAN P18505 GABA Receptor Beta-1 Subunit, Human 200 1.34 Binding ≤ 10μM
    GBRB2_HUMAN P47870 GABA Receptor Beta-2 Subunit, Human 200 1.34 Binding ≤ 10μM
    GBRB3_HUMAN P28472 GABA Receptor Beta-3 Subunit, Human 200 1.34 Binding ≤ 10μM
    GBRD_HUMAN O14764 GABA Receptor Delta Subunit, Human 200 1.34 Binding ≤ 10μM
    GBRE_HUMAN P78334 GABA Receptor Epsilon Subunit, Human 200 1.34 Binding ≤ 10μM
    GBRG1_HUMAN Q8N1C3 GABA Receptor Gamma-1 Subunit, Human 200 1.34 Binding ≤ 10μM
    GBRG1_RAT P23574 GABA Receptor Gamma-1 Subunit, Rat 33 1.50 Binding ≤ 10μM
    GBRG2_HUMAN P18507 GABA Receptor Gamma-2 Subunit, Human 200 1.34 Binding ≤ 10μM
    GBRG3_HUMAN Q99928 GABA Receptor Gamma-3 Subunit, Human 200 1.34 Binding ≤ 10μM
    GBRP_HUMAN O00591 GABA Receptor Pi Subunit, Human 200 1.34 Binding ≤ 10μM
    GBRT_HUMAN Q9UN88 GABA Receptor Theta Subunit, Human 200 1.34 Binding ≤ 10μM
    SC6A1_HUMAN P30531 GABA Transporter 1, Human 5000 1.06 Binding ≤ 10μM
    SC6A1_RAT P23978 GABA Transporter 1, Rat 1620 1.16 Binding ≤ 10μM
    S6A13_RAT P31646 GABA Transporter 2, Rat 5000 1.06 Binding ≤ 10μM
    S6A11_HUMAN P48066 GABA Transporter 3, Human 7000 1.03 Binding ≤ 10μM
    Z104301 Z104301 GABA-A Receptor; Anion Channel 100 1.40 Binding ≤ 10μM
    GABR1_RAT Q9Z0U4 GABA-B Receptor 1, Rat 17 1.55 Binding ≤ 10μM
    GABR1_HUMAN Q9UBS5 GABA-B Receptor 1, Human 25 1.52 Binding ≤ 10μM
    GABR2_RAT O88871 GABA-B Receptor 2, Rat 17 1.55 Binding ≤ 10μM
    GABR2_HUMAN O75899 GABA-B Receptor 2, Human 25 1.52 Binding ≤ 10μM
    Z50597 Z50597 Rattus Norvegicus 8600 1.01 Binding ≤ 10μM
    S6A12_RAT P48056 Betaine Transporter, Rat 2000 1.14 Functional ≤ 10μM
    GBRA1_HUMAN P14867 GABA Receptor Alpha-1 Subunit, Human 1450 1.17 Functional ≤ 10μM
    GBRA2_HUMAN P47869 GABA Receptor Alpha-2 Subunit, Human 1450 1.17 Functional ≤ 10μM
    GBRA3_HUMAN P34903 GABA Receptor Alpha-3 Subunit, Human 1450 1.17 Functional ≤ 10μM
    GBRA4_HUMAN P48169 GABA Receptor Alpha-4 Subunit, Human 1450 1.17 Functional ≤ 10μM
    GBRA5_HUMAN P31644 GABA Receptor Alpha-5 Subunit, Human 1450 1.17 Functional ≤ 10μM
    GBRA6_HUMAN Q16445 GABA Receptor Alpha-6 Subunit, Human 1450 1.17 Functional ≤ 10μM
    GBRB3_HUMAN P28472 GABA Receptor Beta-3 Subunit, Human 1500 1.16 Functional ≤ 10μM
    GBRG2_HUMAN P18507 GABA Receptor Gamma-2 Subunit, Human 1500 1.16 Functional ≤ 10μM
    GBRR1_HUMAN P24046 GABA Receptor Rho-1 Subunit, Human 1190 1.18 Functional ≤ 10μM
    GBRR2_HUMAN P28476 GABA Receptor Rho-2 Subunit, Human 1700 1.15 Functional ≤ 10μM
    GBRR3_HUMAN A8MPY1 GABA Receptor Rho-3 Subunit, Human 1700 1.15 Functional ≤ 10μM
    SC6A1_RAT P23978 GABA Transporter 1, Rat 2000 1.14 Functional ≤ 10μM
    S6A13_RAT P31646 GABA Transporter 2, Rat 2000 1.14 Functional ≤ 10μM
    S6A11_RAT P31647 GABA Transporter 3, Rat 2000 1.14 Functional ≤ 10μM
    GABR1_HUMAN Q9UBS5 GABA-B Receptor 1, Human 1700 1.15 Functional ≤ 10μM
    Z50597 Z50597 Rattus Norvegicus 2000 1.14 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -1.10 0.98 -62.79 3 3 0 68 103.121 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    AA1R-2-E Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 9800 0.54 Binding ≤ 10μM
    AA2AR-1-E Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 9400 0.54 Binding ≤ 10μM
    AA2BR-1-E Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 9000 0.54 Binding ≤ 10μM
    AA3R-2-E Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic Eukaryotes 14 0.85 Binding ≤ 10μM
    ADCY2-1-E Adenylate Cyclase Type II (cluster #1 Of 2), Eukaryotic Eukaryotes 940 0.65 Binding ≤ 10μM
    ADCY3-1-E Adenylate Cyclase Type III (cluster #1 Of 2), Eukaryotic Eukaryotes 940 0.65 Binding ≤ 10μM
    ADCY4-1-E Adenylate Cyclase Type IV (cluster #1 Of 2), Eukaryotic Eukaryotes 940 0.65 Binding ≤ 10μM
    ADCY5-1-E Adenylate Cyclase Type V (cluster #1 Of 2), Eukaryotic Eukaryotes 940 0.65 Binding ≤ 10μM
    ADCY6-1-E Adenylate Cyclase Type VI (cluster #1 Of 2), Eukaryotic Eukaryotes 940 0.65 Binding ≤ 10μM
    ADCY8-2-E Adenylate Cyclase Type VIII (cluster #2 Of 2), Eukaryotic Eukaryotes 940 0.65 Binding ≤ 10μM
    AA2AR-1-E Adenosine A2a Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 4800 0.57 Functional ≤ 10μM
    AA2BR-1-E Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 4800 0.57 Functional ≤ 10μM
    Z50597-2-O Rattus Norvegicus (cluster #2 Of 5), Other Other 9000 0.54 Binding ≤ 10μM
    Z50512-5-O Cavia Porcellus (cluster #5 Of 7), Other Other 6520 0.56 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    AA1R_HUMAN P30542 Adenosine A1 Receptor, Human 0.6 0.99 Binding ≤ 1μM
    AA1R_RAT P25099 Adenosine A1 Receptor, Rat 150 0.73 Binding ≤ 1μM
    AA2AR_RAT P30543 Adenosine A2a Receptor, Rat 150 0.73 Binding ≤ 1μM
    AA2AR_HUMAN P29274 Adenosine A2a Receptor, Human 0.6 0.99 Binding ≤ 1μM
    AA2BR_RAT P29276 Adenosine A2b Receptor, Rat 150 0.73 Binding ≤ 1μM
    AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 14 0.85 Binding ≤ 1μM
    AA3R_RAT P28647 Adenosine A3 Receptor, Rat 150 0.73 Binding ≤ 1μM
    ADCY2_RAT P26769 Adenylate Cyclase Type II, Rat 940 0.65 Binding ≤ 1μM
    ADCY3_RAT P21932 Adenylate Cyclase Type III, Rat 940 0.65 Binding ≤ 1μM
    ADCY4_RAT P26770 Adenylate Cyclase Type IV, Rat 940 0.65 Binding ≤ 1μM
    ADCY5_RAT Q04400 Adenylate Cyclase Type V, Rat 940 0.65 Binding ≤ 1μM
    ADCY6_RAT Q03343 Adenylate Cyclase Type VI, Rat 940 0.65 Binding ≤ 1μM
    ADCY8_RAT P40146 Adenylate Cyclase Type VIII, Rat 940 0.65 Binding ≤ 1μM
    Z50597 Z50597 Rattus Norvegicus 150 0.73 Binding ≤ 1μM
    AA1R_BOVIN P28190 Adenosine A1 Receptor, Bovin 2430 0.60 Binding ≤ 10μM
    AA1R_RAT P25099 Adenosine A1 Receptor, Rat 150 0.73 Binding ≤ 10μM
    AA1R_HUMAN P30542 Adenosine A1 Receptor, Human 0.6 0.99 Binding ≤ 10μM
    AA2AR_RAT P30543 Adenosine A2a Receptor, Rat 1310 0.63 Binding ≤ 10μM
    AA2AR_HUMAN P29274 Adenosine A2a Receptor, Human 0.6 0.99 Binding ≤ 10μM
    AA2BR_RAT P29276 Adenosine A2b Receptor, Rat 1310 0.63 Binding ≤ 10μM
    AA2BR_HUMAN P29275 Adenosine A2b Receptor, Human 2700 0.60 Binding ≤ 10μM
    AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 14 0.85 Binding ≤ 10μM
    AA3R_RAT P28647 Adenosine A3 Receptor, Rat 150 0.73 Binding ≤ 10μM
    ADCY2_RAT P26769 Adenylate Cyclase Type II, Rat 940 0.65 Binding ≤ 10μM
    ADCY3_RAT P21932 Adenylate Cyclase Type III, Rat 940 0.65 Binding ≤ 10μM
    ADCY4_RAT P26770 Adenylate Cyclase Type IV, Rat 940 0.65 Binding ≤ 10μM
    ADCY5_RAT Q04400 Adenylate Cyclase Type V, Rat 940 0.65 Binding ≤ 10μM
    ADCY6_RAT Q03343 Adenylate Cyclase Type VI, Rat 940 0.65 Binding ≤ 10μM
    ADCY8_RAT P40146 Adenylate Cyclase Type VIII, Rat 940 0.65 Binding ≤ 10μM
    Z50597 Z50597 Rattus Norvegicus 150 0.73 Binding ≤ 10μM
    AA2AR_RAT P30543 Adenosine A2a Receptor, Rat 4800 0.57 Functional ≤ 10μM
    AA2BR_RAT P29276 Adenosine A2b Receptor, Rat 4800 0.57 Functional ≤ 10μM
    AA2BR_HUMAN P29275 Adenosine A2b Receptor, Human 9070 0.54 Functional ≤ 10μM
    Z50512 Z50512 Cavia Porcellus 10000 0.54 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.00 3.24 -11.33 1 6 0 73 180.167 0

    Analogs

    3831599
    3831599

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.25 7.71 -45.97 2 4 -1 81 391.572 4
    Lo Low (pH 4.5-6) 4.25 5.74 -7.17 3 4 0 78 392.58 4

    Analogs

    3831599
    3831599

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.25 7.75 -47.16 2 4 -1 81 391.572 4
    Lo Low (pH 4.5-6) 4.25 5.77 -6.78 3 4 0 78 392.58 4

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 8.07 13.64 -44.83 0 2 -1 40 283.476 16

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    TAAR1-2-E Trace Amine-associated Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 731 0.86 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    TAAR1_HUMAN Q96RJ0 Trace Amine-associated Receptor 1, Human 731 0.86 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.44 0.46 -47.41 4 2 1 48 138.19 2

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    CAH1-4-E Carbonic Anhydrase I (cluster #4 Of 12), Eukaryotic Eukaryotes 9920 0.70 Binding ≤ 10μM
    CAH12-9-E Carbonic Anhydrase XII (cluster #9 Of 9), Eukaryotic Eukaryotes 8800 0.71 Binding ≤ 10μM
    CAH15-4-E Carbonic Anhydrase 15 (cluster #4 Of 6), Eukaryotic Eukaryotes 7200 0.72 Binding ≤ 10μM
    CAH2-13-E Carbonic Anhydrase II (cluster #13 Of 15), Eukaryotic Eukaryotes 7120 0.72 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    CAH15_MOUSE Q99N23 Carbonic Anhydrase 15, Mouse 7200 0.72 Binding ≤ 10μM
    CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 9900 0.70 Binding ≤ 10μM
    CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 7100 0.72 Binding ≤ 10μM
    CAH12_HUMAN O43570 Carbonic Anhydrase XII, Human 8800 0.71 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.87 3.11 -51.26 1 3 -1 60 137.114 1

    Analogs

    4474613
    4474613
    4521470
    4521470
    4543724
    4543724
    4544257
    4544257
    8860490
    8860490

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    FFAR1-1-E Free Fatty Acid Receptor 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 5200 0.37 Functional ≤ 10μM
    O3FA1-2-E G-protein Coupled Receptor 120 (cluster #2 Of 2), Eukaryotic Eukaryotes 2600 0.39 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    FFAR1_HUMAN O14842 Free Fatty Acid Receptor 1, Human 5200 0.37 Functional ≤ 10μM
    O3FA1_HUMAN Q5NUL3 G-protein Coupled Receptor 120, Human 2600 0.39 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.84 13.66 -43.79 0 2 -1 40 277.428 13
    Lo Low (pH 4.5-6) 5.84 11.68 -5.61 1 2 0 37 278.436 13

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 6.13 13.66 -43.62 0 2 -1 40 277.428 13
    Lo Low (pH 4.5-6) 6.13 11.68 -5.43 1 2 0 37 278.436 13

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -1.20 -4.03 -29.86 6 3 1 77 60.08 0

    Analogs

    34455267
    34455267
    1530444
    1530444
    1530448
    1530448
    901236
    901236

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -2.77 -9.64 -43.48 4 7 -1 130 193.131 1

    Analogs

    1530444
    1530444
    1530448
    1530448
    901236
    901236

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -2.77 -9.44 -46.09 4 7 -1 130 193.131 1

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    FABP4-2-E Fatty Acid Binding Protein Adipocyte (cluster #2 Of 3), Eukaryotic Eukaryotes 930 0.47 Binding ≤ 10μM
    FABP5-2-E Fatty Acid Binding Protein Epidermal (cluster #2 Of 2), Eukaryotic Eukaryotes 802 0.47 Binding ≤ 10μM
    FABPH-3-E Fatty Acid Binding Protein Muscle (cluster #3 Of 3), Eukaryotic Eukaryotes 2600 0.43 Binding ≤ 10μM
    FABPI-2-E Fatty Acid Binding Protein Intestinal (cluster #2 Of 3), Eukaryotic Eukaryotes 1700 0.45 Binding ≤ 10μM
    TLR2-1-E Toll-like Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 5000 0.41 Functional ≤ 10μM
    Z80548-2-O THP-1 (Acute Monocytic Leukemia Cells) (cluster #2 Of 5), Other Other 5000 0.41 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    FABP4_HUMAN P15090 Fatty Acid Binding Protein Adipocyte, Human 336 0.50 Binding ≤ 1μM
    FABP5_HUMAN Q01469 Fatty Acid Binding Protein Epidermal, Human 802 0.47 Binding ≤ 1μM
    FABP4_HUMAN P15090 Fatty Acid Binding Protein Adipocyte, Human 336 0.50 Binding ≤ 10μM
    FABP5_HUMAN Q01469 Fatty Acid Binding Protein Epidermal, Human 1200 0.46 Binding ≤ 10μM
    FABPI_HUMAN P12104 Fatty Acid Binding Protein Intestinal, Human 1700 0.45 Binding ≤ 10μM
    FABPH_HUMAN P05413 Fatty Acid Binding Protein Muscle, Human 2600 0.43 Binding ≤ 10μM
    Z80548 Z80548 THP-1 (Acute Monocytic Leukemia Cells) 5000 0.41 Functional ≤ 10μM
    TLR2_HUMAN O60603 Toll-like Receptor 2, Human 5000 0.41 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 7.06 2.36 -44.91 0 2 -1 40 255.422 14

    Analogs

    5226647
    5226647
    5226650
    5226650

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.01 11.7 -45.84 2 11 1 119 609.696 10

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SCN1A-1-E Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 4400 0.31 Binding ≤ 10μM
    SCN2A-2-E Sodium Channel Protein Type II Alpha Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 4400 0.31 Binding ≤ 10μM
    SCN3A-1-E Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 4400 0.31 Binding ≤ 10μM
    SCN8A-1-E Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 4400 0.31 Binding ≤ 10μM
    CP2D6-1-E Cytochrome P450 2D6 (cluster #1 Of 3), Eukaryotic Eukaryotes 610 0.36 ADME/T ≤ 10μM
    CP2DI-1-E Cytochrome P450 2D18 (cluster #1 Of 1), Eukaryotic Eukaryotes 1700 0.34 ADME/T ≤ 10μM
    CP2DQ-1-E Cytochrome P450 2D2 (cluster #1 Of 1), Eukaryotic Eukaryotes 94 0.41 ADME/T ≤ 10μM
    Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 652 0.36 Functional ≤ 10μM
    Z50426-6-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #6 Of 9), Other Other 81 0.41 Functional ≤ 10μM
    Z50460-2-O Leishmania Major (cluster #2 Of 4), Other Other 9530 0.29 Functional ≤ 10μM
    Z81138-1-O ScN2a (Scrapie-infected Neuroblastoma Cells) (cluster #1 Of 3), Other Other 10000 0.29 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SCN1A_HUMAN P35498 Sodium Channel Protein Type I Alpha Subunit, Human 4400 0.31 Binding ≤ 10μM
    SCN2A_HUMAN Q99250 Sodium Channel Protein Type II Alpha Subunit, Human 4400 0.31 Binding ≤ 10μM
    SCN3A_HUMAN Q9NY46 Sodium Channel Protein Type III Alpha Subunit, Human 4400 0.31 Binding ≤ 10μM
    SCN8A_HUMAN Q9UQD0 Sodium Channel Protein Type VIII Alpha Subunit, Human 4400 0.31 Binding ≤ 10μM
    Z50460 Z50460 Leishmania Major 9410 0.29 Functional ≤ 10μM
    Z50425 Z50425 Plasmodium Falciparum 100 0.41 Functional ≤ 10μM
    Z50426 Z50426 Plasmodium Falciparum (isolate K1 / Thailand) 12 0.46 Functional ≤ 10μM
    Z81138 Z81138 ScN2a (Scrapie-infected Neuroblastoma Cells) 10000 0.29 Functional ≤ 10μM
    CP2DI_RAT Q64680 Cytochrome P450 2D18, Rat 1700 0.34 ADME/T ≤ 10μM
    CP2DQ_RAT P10634 Cytochrome P450 2D2, Rat 94 0.41 ADME/T ≤ 10μM
    CP2D6_HUMAN P10635 Cytochrome P450 2D6, Human 1800 0.34 ADME/T ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.06 7.18 -40.05 2 4 1 47 325.432 4
    Lo Low (pH 4.5-6) 3.06 7.62 -89.58 3 4 2 48 326.44 4

    Analogs

    1842530
    1842530
    2020519
    2020519
    4289113
    4289113
    4521307
    4521307
    6484901
    6484901

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.06 6.23 -42.32 2 4 1 47 325.432 4
    Lo Low (pH 4.5-6) 3.06 6.66 -92.63 3 4 2 48 326.44 4

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    CAH4-6-E Carbonic Anhydrase IV (cluster #6 Of 16), Eukaryotic Eukaryotes 99 0.75 Binding ≤ 10μM
    AROQ-1-B 3-dehydroquinate Dehydratase (cluster #1 Of 1), Bacterial Bacteria 2500 0.60 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    CAH4_HUMAN P22748 Carbonic Anhydrase IV, Human 99 0.75 Binding ≤ 1μM
    AROQ_HELPY Q48255 3-dehydroquinate Dehydratase, Helpy 2500 0.60 Binding ≤ 10μM
    AROQ_STRCO P15474 3-dehydroquinate Dehydratase, Strco 7300 0.55 Binding ≤ 10μM
    CAH4_HUMAN P22748 Carbonic Anhydrase IV, Human 99 0.75 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -1.98 3.22 -217.8 1 7 -3 141 189.099 5
    Mid Mid (pH 6-8) -1.98 1.24 -131.87 2 7 -2 138 190.107 5
    Lo Low (pH 4.5-6) -1.98 -0.74 -64.58 3 7 -1 135 191.115 5

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -2.20 -0.91 -39.4 5 5 0 108 197.19 3

    Analogs

    3995575
    3995575
    5855933
    5855933
    34599078
    34599078

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.81 5.18 -75.46 2 5 -1 97 212.225 4

    Analogs

    3995575
    3995575
    5855933
    5855933
    34599078
    34599078

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.81 4.8 -77.14 2 5 -1 97 212.225 4

    Analogs

    3995575
    3995575
    5855933
    5855933
    34599078
    34599078

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.81 4.9 -80.27 2 5 -1 97 212.225 4

    Analogs

    3995575
    3995575
    5855933
    5855933
    34599078
    34599078

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.81 4.7 -80.4 2 5 -1 97 212.225 4

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    HRH1-2-E Histamine H1 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 190 1.18 Binding ≤ 10μM
    HRH2-2-E Histamine H2 Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 1200 1.04 Binding ≤ 10μM
    HRH3-1-E Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 77 1.24 Binding ≤ 10μM
    HRH4-2-E Histamine H4 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 75 1.25 Binding ≤ 10μM
    HRH1-2-E Histamine H1 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 45 1.29 Functional ≤ 10μM
    HRH2-1-E Histamine H2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 650 1.08 Functional ≤ 10μM
    HRH3-2-E Histamine H3 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 88 1.23 Functional ≤ 10μM
    HRH4-2-E Histamine H4 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 1800 1.01 Functional ≤ 10μM
    Z50512-3-O Cavia Porcellus (cluster #3 Of 7), Other Other 980 1.05 Functional ≤ 10μM
    Z50597-3-O Rattus Norvegicus (cluster #3 Of 12), Other Other 62 1.26 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    HRH1_HUMAN P35367 Histamine H1 Receptor, Human 13 1.38 Binding ≤ 1μM
    HRH2_HUMAN P25021 Histamine H2 Receptor, Human 463 1.11 Binding ≤ 1μM
    HRH3_HUMAN Q9Y5N1 Histamine H3 Receptor, Human 10 1.40 Binding ≤ 1μM
    HRH3_MOUSE P58406 Histamine H3 Receptor, Mouse 68 1.25 Binding ≤ 1μM
    HRH4_HUMAN Q9H3N8 Histamine H4 Receptor, Human 11.6 1.39 Binding ≤ 1μM
    HRH4_MOUSE Q91ZY2 Histamine H4 Receptor, Mouse 79.4328235 1.24 Binding ≤ 1μM
    HRH4_RAT Q91ZY1 Histamine H4 Receptor, Rat 63.0957344 1.26 Binding ≤ 1μM
    HRH1_HUMAN P35367 Histamine H1 Receptor, Human 13 1.38 Binding ≤ 10μM
    HRH2_CAVPO P47747 Histamine H2 Receptor, Guinea Pig 1200 1.04 Binding ≤ 10μM
    HRH2_HUMAN P25021 Histamine H2 Receptor, Human 1200 1.04 Binding ≤ 10μM
    HRH3_MOUSE P58406 Histamine H3 Receptor, Mouse 68 1.25 Binding ≤ 10μM
    HRH3_HUMAN Q9Y5N1 Histamine H3 Receptor, Human 10 1.40 Binding ≤ 10μM
    HRH4_RAT Q91ZY1 Histamine H4 Receptor, Rat 63.0957344 1.26 Binding ≤ 10μM
    HRH4_HUMAN Q9H3N8 Histamine H4 Receptor, Human 11.6 1.39 Binding ≤ 10μM
    HRH4_MOUSE Q91ZY2 Histamine H4 Receptor, Mouse 79.4328235 1.24 Binding ≤ 10μM
    Z50512 Z50512 Cavia Porcellus 1000 1.05 Functional ≤ 10μM
    HRH1_HUMAN P35367 Histamine H1 Receptor, Human 1000 1.05 Functional ≤ 10μM
    HRH2_HUMAN P25021 Histamine H2 Receptor, Human 650 1.08 Functional ≤ 10μM
    HRH3_HUMAN Q9Y5N1 Histamine H3 Receptor, Human 88 1.23 Functional ≤ 10μM
    HRH3_RAT Q9QYN8 Histamine H3 Receptor, Rat 62 1.26 Functional ≤ 10μM
    HRH4_HUMAN Q9H3N8 Histamine H4 Receptor, Human 1800 1.01 Functional ≤ 10μM
    Z50597 Z50597 Rattus Norvegicus 62 1.26 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.85 0.85 -42.34 4 3 1 56 112.156 2
    Lo Low (pH 4.5-6) -0.85 1.31 -96.9 5 3 2 58 113.164 2

    Analogs

    5972968
    5972968
    12504416
    12504416
    13507096
    13507096
    13507098
    13507098
    13507099
    13507099

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    FABP4-2-E Fatty Acid Binding Protein Adipocyte (cluster #2 Of 3), Eukaryotic Eukaryotes 180 0.43 Binding ≤ 10μM
    Z50587-5-O Homo Sapiens (cluster #5 Of 9), Other Other 940 0.38 Functional ≤ 10μM
    Z50643-1-O Hepatitis C Virus (cluster #1 Of 5), Other Other 10000 0.32 Functional ≤ 10μM
    Z80548-2-O THP-1 (Acute Monocytic Leukemia Cells) (cluster #2 Of 5), Other Other 5 0.53 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    FABP4_HUMAN P15090 Fatty Acid Binding Protein Adipocyte, Human 180 0.43 Binding ≤ 1μM
    FABP4_HUMAN P15090 Fatty Acid Binding Protein Adipocyte, Human 180 0.43 Binding ≤ 10μM
    Z50643 Z50643 Hepatitis C Virus 10000 0.32 Functional ≤ 10μM
    Z50587 Z50587 Homo Sapiens 940 0.38 Functional ≤ 10μM
    Z80548 Z80548 THP-1 (Acute Monocytic Leukemia Cells) 180 0.43 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 6.42 14.92 -43.78 0 2 -1 40 303.466 14
    Lo Low (pH 4.5-6) 6.42 12.94 -5.78 1 2 0 37 304.474 14

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.45 -7.79 -55.22 5 9 -1 167 353.303 5

    Analogs

    3919243
    3919243
    3947475
    3947475
    3947476
    3947476
    4096248
    4096248
    4102407
    4102407

    Draw Identity 99% 90% 80% 70%


    Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

    Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.45 -8.03 -50.97 5 9 -1 167 353.303 5

    Analogs

    3947476
    3947476
    4096248
    4096248
    4102407
    4102407
    6482465
    6482465
    12153524
    12153524

    Draw Identity 99% 90% 80% 70%


    Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

    Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.45 -8.39 -51.55 5 9 -1 167 353.303 5

    Analogs

    1544807
    1544807
    22060223
    22060223
    22060226
    22060226

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.25 8.46 -48.23 0 2 -1 40 205.324 5
    Lo Low (pH 4.5-6) 2.25 6.48 -10.28 1 2 0 37 206.332 5

    Analogs

    22060223
    22060223
    22060226
    22060226
    1532729
    1532729

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ACES-6-E Acetylcholinesterase (cluster #6 Of 12), Eukaryotic Eukaryotes 1 1.05 Binding ≤ 10μM
    PGH2-6-E Cyclooxygenase-2 (cluster #6 Of 8), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    ACES_HUMAN P22303 Acetylcholinesterase, Human 1 1.05 Binding ≤ 1μM
    PGH2_HUMAN P35354 Cyclooxygenase-2, Human 0.1 1.17 Binding ≤ 1μM
    ACES_HUMAN P22303 Acetylcholinesterase, Human 1 1.05 Binding ≤ 10μM
    PGH2_HUMAN P35354 Cyclooxygenase-2, Human 0.1 1.17 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.25 8.4 -47.34 0 2 -1 40 205.324 5
    Lo Low (pH 4.5-6) 2.25 6.42 -9.4 1 2 0 37 206.332 5

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    HCAR2-2-E HM74 Nicotinic Acid GPCR (cluster #2 Of 4), Eukaryotic Eukaryotes 270 1.02 Binding ≤ 10μM
    HCAR2-2-E HM74 Nicotinic Acid GPCR (cluster #2 Of 3), Eukaryotic Eukaryotes 29 1.17 Functional ≤ 10μM
    Z50588-6-O Canis Familiaris (cluster #6 Of 7), Other Other 2700 0.87 Functional ≤ 10μM
    Z50597-8-O Rattus Norvegicus (cluster #8 Of 12), Other Other 960 0.94 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    HCAR2_RAT Q80Z39 HM74 Nicotinic Acid GPCR, Rat 33 1.16 Binding ≤ 1μM
    HCAR2_MOUSE Q9EP66 HM74 Nicotinic Acid GPCR, Mouse 140 1.07 Binding ≤ 1μM
    HCAR2_HUMAN Q8TDS4 Nicotinic Acid Receptor 1, Human 1000 0.93 Binding ≤ 1μM
    HCAR2_MOUSE Q9EP66 HM74 Nicotinic Acid GPCR, Mouse 140 1.07 Binding ≤ 10μM
    HCAR2_RAT Q80Z39 HM74 Nicotinic Acid GPCR, Rat 33 1.16 Binding ≤ 10μM
    HCAR2_HUMAN Q8TDS4 Nicotinic Acid Receptor 1, Human 1000 0.93 Binding ≤ 10μM
    Z50588 Z50588 Canis Familiaris 2700 0.87 Functional ≤ 10μM
    HCAR2_MOUSE Q9EP66 HM74 Nicotinic Acid GPCR, Mouse 29 1.17 Functional ≤ 10μM
    HCAR2_RAT Q80Z39 HM74 Nicotinic Acid GPCR, Rat 39 1.15 Functional ≤ 10μM
    HCAR2_HUMAN Q8TDS4 Nicotinic Acid Receptor 1, Human 100 1.09 Functional ≤ 10μM
    Z50597 Z50597 Rattus Norvegicus 1700 0.90 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.27 3.29 -45.83 0 3 -1 53 122.103 1
    Lo Low (pH 4.5-6) 0.27 3.74 -46.83 1 3 0 54 123.111 1

    Analogs

    33822153
    33822153
    4529321
    4529321

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    FAAH1-4-E Anandamide Amidohydrolase (cluster #4 Of 7), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
    FABP4-2-E Fatty Acid Binding Protein Adipocyte (cluster #2 Of 3), Eukaryotic Eukaryotes 185 0.47 Binding ≤ 10μM
    FABP5-2-E Fatty Acid Binding Protein Epidermal (cluster #2 Of 2), Eukaryotic Eukaryotes 248 0.46 Binding ≤ 10μM
    FABPL-1-E Fatty Acid-binding Protein, Liver (cluster #1 Of 4), Eukaryotic Eukaryotes 900 0.42 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    FABP4_HUMAN P15090 Fatty Acid Binding Protein Adipocyte, Human 185 0.47 Binding ≤ 1μM
    FABP5_HUMAN Q01469 Fatty Acid Binding Protein Epidermal, Human 248 0.46 Binding ≤ 1μM
    FABPL_HUMAN P07148 Fatty Acid-binding Protein, Liver, Human 200 0.47 Binding ≤ 1μM
    FABPL_RAT P02692 Fatty Acid-binding Protein, Liver, Rat 180 0.47 Binding ≤ 1μM
    FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 6000 0.37 Binding ≤ 10μM
    FABP4_HUMAN P15090 Fatty Acid Binding Protein Adipocyte, Human 185 0.47 Binding ≤ 10μM
    FABP5_HUMAN Q01469 Fatty Acid Binding Protein Epidermal, Human 248 0.46 Binding ≤ 10μM
    FABPL_HUMAN P07148 Fatty Acid-binding Protein, Liver, Human 200 0.47 Binding ≤ 10μM
    FABPL_RAT P02692 Fatty Acid-binding Protein, Liver, Rat 180 0.47 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 7.58 13.34 -45.08 0 2 -1 40 281.46 15

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    AA3R-5-E Adenosine Receptor A3 (cluster #5 Of 6), Eukaryotic Eukaryotes 16 1.36 Binding ≤ 10μM
    GBRA1-5-E GABA Receptor Alpha-1 Subunit (cluster #5 Of 8), Eukaryotic Eukaryotes 2 1.52 Binding ≤ 10μM
    GBRA2-7-E GABA Receptor Alpha-2 Subunit (cluster #7 Of 8), Eukaryotic Eukaryotes 2 1.52 Binding ≤ 10μM
    GBRA3-6-E GABA Receptor Alpha-3 Subunit (cluster #6 Of 8), Eukaryotic Eukaryotes 2 1.52 Binding ≤ 10μM
    GBRA4-6-E GABA Receptor Alpha-4 Subunit (cluster #6 Of 7), Eukaryotic Eukaryotes 2 1.52 Binding ≤ 10μM
    GBRA5-5-E GABA Receptor Alpha-5 Subunit (cluster #5 Of 8), Eukaryotic Eukaryotes 2 1.52 Binding ≤ 10μM
    GBRA6-5-E GABA Receptor Alpha-6 Subunit (cluster #5 Of 8), Eukaryotic Eukaryotes 2 1.52 Binding ≤ 10μM
    GBRB1-5-E GABA Receptor Beta-1 Subunit (cluster #5 Of 6), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
    GBRB2-3-E GABA Receptor Beta-2 Subunit (cluster #3 Of 7), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
    GBRB3-3-E GABA Receptor Beta-3 Subunit (cluster #3 Of 6), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
    GBRD-2-E GABA Receptor Delta Subunit (cluster #2 Of 5), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
    GBRE-2-E GABA Receptor Epsilon Subunit (cluster #2 Of 5), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
    GBRG1-3-E GABA Receptor Gamma-1 Subunit (cluster #3 Of 7), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
    GBRG2-4-E GABA Receptor Gamma-2 Subunit (cluster #4 Of 7), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
    GBRG3-6-E GABA Receptor Gamma-3 Subunit (cluster #6 Of 7), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
    GBRP-2-E GABA Receptor Pi Subunit (cluster #2 Of 6), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
    GBRT-3-E GABA Receptor Theta Subunit (cluster #3 Of 5), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
    GBRA1-3-E GABA Receptor Alpha-1 Subunit (cluster #3 Of 5), Eukaryotic Eukaryotes 135 1.20 Functional ≤ 10μM
    GBRA2-3-E GABA Receptor Alpha-2 Subunit (cluster #3 Of 4), Eukaryotic Eukaryotes 135 1.20 Functional ≤ 10μM
    GBRA3-3-E GABA Receptor Alpha-3 Subunit (cluster #3 Of 4), Eukaryotic Eukaryotes 135 1.20 Functional ≤ 10μM
    GBRA4-3-E GABA Receptor Alpha-4 Subunit (cluster #3 Of 4), Eukaryotic Eukaryotes 135 1.20 Functional ≤ 10μM
    GBRA5-2-E GABA Receptor Alpha-5 Subunit (cluster #2 Of 4), Eukaryotic Eukaryotes 135 1.20 Functional ≤ 10μM
    GBRA6-2-E GABA Receptor Alpha-6 Subunit (cluster #2 Of 4), Eukaryotic Eukaryotes 135 1.20 Functional ≤ 10μM
    GBRR1-2-E GABA Receptor Rho-1 Subunit (cluster #2 Of 4), Eukaryotic Eukaryotes 2300 0.99 Functional ≤ 10μM
    GBRR2-1-E GABA Receptor Rho-2 Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 1400 1.02 Functional ≤ 10μM
    Z104301-6-O GABA-A Receptor; Anion Channel (cluster #6 Of 8), Other Other 6 1.44 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 16 1.36 Binding ≤ 1μM
    GBRA1_HUMAN P14867 GABA Receptor Alpha-1 Subunit, Human 11 1.39 Binding ≤ 1μM
    GBRA2_HUMAN P47869 GABA Receptor Alpha-2 Subunit, Human 11 1.39 Binding ≤ 1μM
    GBRA3_HUMAN P34903 GABA Receptor Alpha-3 Subunit, Human 11 1.39 Binding ≤ 1μM
    GBRA4_HUMAN P48169 GABA Receptor Alpha-4 Subunit, Human 11 1.39 Binding ≤ 1μM
    GBRA5_HUMAN P31644 GABA Receptor Alpha-5 Subunit, Human 11 1.39 Binding ≤ 1μM
    GBRA6_HUMAN Q16445 GABA Receptor Alpha-6 Subunit, Human 11 1.39 Binding ≤ 1μM
    GBRB1_HUMAN P18505 GABA Receptor Beta-1 Subunit, Human 11 1.39 Binding ≤ 1μM
    GBRB2_HUMAN P47870 GABA Receptor Beta-2 Subunit, Human 11 1.39 Binding ≤ 1μM
    GBRB3_HUMAN P28472 GABA Receptor Beta-3 Subunit, Human 11 1.39 Binding ≤ 1μM
    GBRD_HUMAN O14764 GABA Receptor Delta Subunit, Human 11 1.39 Binding ≤ 1μM
    GBRE_HUMAN P78334 GABA Receptor Epsilon Subunit, Human 11 1.39 Binding ≤ 1μM
    GBRG1_RAT P23574 GABA Receptor Gamma-1 Subunit, Rat 6 1.44 Binding ≤ 1μM
    GBRG1_HUMAN Q8N1C3 GABA Receptor Gamma-1 Subunit, Human 11 1.39 Binding ≤ 1μM
    GBRG2_HUMAN P18507 GABA Receptor Gamma-2 Subunit, Human 11 1.39 Binding ≤ 1μM
    GBRG3_HUMAN Q99928 GABA Receptor Gamma-3 Subunit, Human 11 1.39 Binding ≤ 1μM
    GBRP_HUMAN O00591 GABA Receptor Pi Subunit, Human 11 1.39 Binding ≤ 1μM
    GBRT_HUMAN Q9UN88 GABA Receptor Theta Subunit, Human 11 1.39 Binding ≤ 1μM
    Z104301 Z104301 GABA-A Receptor; Anion Channel 10 1.40 Binding ≤ 1μM
    AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 16 1.36 Binding ≤ 10μM
    GBRA1_HUMAN P14867 GABA Receptor Alpha-1 Subunit, Human 11 1.39 Binding ≤ 10μM
    GBRA2_HUMAN P47869 GABA Receptor Alpha-2 Subunit, Human 11 1.39 Binding ≤ 10μM
    GBRA3_HUMAN P34903 GABA Receptor Alpha-3 Subunit, Human 11 1.39 Binding ≤ 10μM
    GBRA4_HUMAN P48169 GABA Receptor Alpha-4 Subunit, Human 11 1.39 Binding ≤ 10μM
    GBRA5_HUMAN P31644 GABA Receptor Alpha-5 Subunit, Human 11 1.39 Binding ≤ 10μM
    GBRA6_HUMAN Q16445 GABA Receptor Alpha-6 Subunit, Human 11 1.39 Binding ≤ 10μM
    GBRB1_HUMAN P18505 GABA Receptor Beta-1 Subunit, Human 11 1.39 Binding ≤ 10μM
    GBRB2_HUMAN P47870 GABA Receptor Beta-2 Subunit, Human 11 1.39 Binding ≤ 10μM
    GBRB3_HUMAN P28472 GABA Receptor Beta-3 Subunit, Human 11 1.39 Binding ≤ 10μM
    GBRD_HUMAN O14764 GABA Receptor Delta Subunit, Human 11 1.39 Binding ≤ 10μM
    GBRE_HUMAN P78334 GABA Receptor Epsilon Subunit, Human 11 1.39 Binding ≤ 10μM
    GBRG1_HUMAN Q8N1C3 GABA Receptor Gamma-1 Subunit, Human 11 1.39 Binding ≤ 10μM
    GBRG1_RAT P23574 GABA Receptor Gamma-1 Subunit, Rat 6 1.44 Binding ≤ 10μM
    GBRG2_HUMAN P18507 GABA Receptor Gamma-2 Subunit, Human 11 1.39 Binding ≤ 10μM
    GBRG3_HUMAN Q99928 GABA Receptor Gamma-3 Subunit, Human 11 1.39 Binding ≤ 10μM
    GBRP_HUMAN O00591 GABA Receptor Pi Subunit, Human 11 1.39 Binding ≤ 10μM
    GBRT_HUMAN Q9UN88 GABA Receptor Theta Subunit, Human 11 1.39 Binding ≤ 10μM
    Z104301 Z104301 GABA-A Receptor; Anion Channel 10 1.40 Binding ≤ 10μM
    GBRA1_HUMAN P14867 GABA Receptor Alpha-1 Subunit, Human 135 1.20 Functional ≤ 10μM
    GBRA2_HUMAN P47869 GABA Receptor Alpha-2 Subunit, Human 135 1.20 Functional ≤ 10μM
    GBRA3_HUMAN P34903 GABA Receptor Alpha-3 Subunit, Human 135 1.20 Functional ≤ 10μM
    GBRA4_HUMAN P48169 GABA Receptor Alpha-4 Subunit, Human 135 1.20 Functional ≤ 10μM
    GBRA5_HUMAN P31644 GABA Receptor Alpha-5 Subunit, Human 135 1.20 Functional ≤ 10μM
    GBRA6_HUMAN Q16445 GABA Receptor Alpha-6 Subunit, Human 135 1.20 Functional ≤ 10μM
    GBRR1_HUMAN P24046 GABA Receptor Rho-1 Subunit, Human 1400 1.02 Functional ≤ 10μM
    GBRR2_HUMAN P28476 GABA Receptor Rho-2 Subunit, Human 1400 1.02 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.25 -3.98 -69.85 3 4 0 77 114.104 1
    Hi High (pH 8-9.5) -0.25 -4.38 -47.41 2 4 -1 75 113.096 1

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80712-6-O T47D (Breast Carcinoma Cells) (cluster #6 Of 7), Other Other 7400 1.20 Functional ≤ 10μM
    Z81252-6-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #6 Of 11), Other Other 1280 1.37 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    Z81252 Z81252 MDA-MB-231 (Breast Adenocarcinoma Cells) 1280 1.37 Functional ≤ 10μM
    Z80712 Z80712 T47D (Breast Carcinoma Cells) 7400 1.20 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -1.54 -1.56 -97.63 6 2 2 55 90.17 3

    Analogs

    39089
    39089

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ADA2A-3-E Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 45 0.79 Binding ≤ 10μM
    ADA2B-4-E Alpha-2b Adrenergic Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 45 0.79 Binding ≤ 10μM
    ADA2C-3-E Alpha-2c Adrenergic Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 45 0.79 Binding ≤ 10μM
    ADRB2-1-E Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 3700 0.58 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 45 0.79 Binding ≤ 1μM
    ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 45 0.79 Binding ≤ 1μM
    ADA2C_RAT P22086 Alpha-2c Adrenergic Receptor, Rat 45 0.79 Binding ≤ 1μM
    ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 45 0.79 Binding ≤ 10μM
    ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 45 0.79 Binding ≤ 10μM
    ADA2C_RAT P22086 Alpha-2c Adrenergic Receptor, Rat 45 0.79 Binding ≤ 10μM
    ADRB2_CANFA P54833 Beta-2 Adrenergic Receptor, Canine 3700 0.58 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.06 -2.87 -46.53 5 4 1 77 184.215 3
    Hi High (pH 8-9.5) -0.06 -4.37 -7.91 4 4 0 73 183.207 3

    Analogs

    39090
    39090

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ADA1A-3-E Alpha-1a Adrenergic Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 17 0.84 Binding ≤ 10μM
    ADA1B-1-E Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 17 0.84 Binding ≤ 10μM
    ADA1D-1-E Alpha-1d Adrenergic Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 17 0.84 Binding ≤ 10μM
    ADA2A-3-E Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 38 0.80 Binding ≤ 10μM
    ADA2B-4-E Alpha-2b Adrenergic Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 38 0.80 Binding ≤ 10μM
    ADA2C-3-E Alpha-2c Adrenergic Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 38 0.80 Binding ≤ 10μM
    ADRB1-1-E Beta-1 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 2100 0.61 Binding ≤ 10μM
    ADRB2-1-E Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 720 0.66 Binding ≤ 10μM
    OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 4000 0.58 Binding ≤ 10μM
    ADA1A-1-E Alpha-1a Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 400 0.69 Functional ≤ 10μM
    ADA2A-3-E Alpha-2a Adrenergic Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 300 0.70 Functional ≤ 10μM
    ADA2B-2-E Alpha-2b Adrenergic Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 300 0.70 Functional ≤ 10μM
    ADA2C-3-E Alpha-2c Adrenergic Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 300 0.70 Functional ≤ 10μM
    ADRB1-1-E Beta-1 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 230 0.71 Functional ≤ 10μM
    ADRB2-1-E Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 230 0.71 Functional ≤ 10μM
    ADRB3-1-E Beta-3 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 230 0.71 Functional ≤ 10μM
    Z104304-1-O Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other Other 2800 0.60 Binding ≤ 10μM
    Z104304-1-O Adrenergic Receptor Alpha-1 (cluster #1 Of 1), Other Other 4073 0.58 Functional ≤ 10μM
    Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 400 0.69 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    Z104304 Z104304 Adrenergic Receptor Alpha-1 200 0.72 Binding ≤ 1μM
    ADA1A_RAT P43140 Alpha-1a Adrenergic Receptor, Rat 17 0.84 Binding ≤ 1μM
    ADA1B_RAT P15823 Alpha-1b Adrenergic Receptor, Rat 17 0.84 Binding ≤ 1μM
    ADA1D_RAT P23944 Alpha-1d Adrenergic Receptor, Rat 17 0.84 Binding ≤ 1μM
    ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 13 0.85 Binding ≤ 1μM
    ADA2A_HUMAN P08913 Alpha-2a Adrenergic Receptor, Human 5 0.89 Binding ≤ 1μM
    ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 13 0.85 Binding ≤ 1μM
    ADA2B_HUMAN P18089 Alpha-2b Adrenergic Receptor, Human 5 0.89 Binding ≤ 1μM
    ADA2C_RAT P22086 Alpha-2c Adrenergic Receptor, Rat 13 0.85 Binding ≤ 1μM
    ADA2C_HUMAN P18825 Alpha-2c Adrenergic Receptor, Human 5 0.89 Binding ≤ 1μM
    ADRB2_CANFA P54833 Beta-2 Adrenergic Receptor, Canine 660 0.67 Binding ≤ 1μM
    ADRB2_HUMAN P07550 Beta-2 Adrenergic Receptor, Human 630 0.67 Binding ≤ 1μM
    Z104304 Z104304 Adrenergic Receptor Alpha-1 1600 0.62 Binding ≤ 10μM
    ADA1A_RAT P43140 Alpha-1a Adrenergic Receptor, Rat 17 0.84 Binding ≤ 10μM
    ADA1A_HUMAN P35348 Alpha-1a Adrenergic Receptor, Human 2000 0.61 Binding ≤ 10μM
    ADA1B_RAT P15823 Alpha-1b Adrenergic Receptor, Rat 17 0.84 Binding ≤ 10μM
    ADA1D_RAT P23944 Alpha-1d Adrenergic Receptor, Rat 17 0.84 Binding ≤ 10μM
    ADA2A_HUMAN P08913 Alpha-2a Adrenergic Receptor, Human 5 0.89 Binding ≤ 10μM
    ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 13 0.85 Binding ≤ 10μM
    ADA2B_HUMAN P18089 Alpha-2b Adrenergic Receptor, Human 5 0.89 Binding ≤ 10μM
    ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 13 0.85 Binding ≤ 10μM
    ADA2C_RAT P22086 Alpha-2c Adrenergic Receptor, Rat 13 0.85 Binding ≤ 10μM
    ADA2C_HUMAN P18825 Alpha-2c Adrenergic Receptor, Human 5 0.89 Binding ≤ 10μM
    ADRB1_HUMAN P08588 Beta-1 Adrenergic Receptor, Human 3000 0.59 Binding ≤ 10μM
    ADRB1_RAT P18090 Beta-1 Adrenergic Receptor, Rat 1100 0.64 Binding ≤ 10μM
    ADRB2_CANFA P54833 Beta-2 Adrenergic Receptor, Canine 1100 0.64 Binding ≤ 10μM
    ADRB2_HUMAN P07550 Beta-2 Adrenergic Receptor, Human 630 0.67 Binding ≤ 10μM
    OPRM_RAT P33535 Mu Opioid Receptor, Rat 4000 0.58 Binding ≤ 10μM
    Z104304 Z104304 Adrenergic Receptor Alpha-1 4073 0.58 Functional ≤ 10μM
    ADA1A_HUMAN P35348 Alpha-1a Adrenergic Receptor, Human 400 0.69 Functional ≤ 10μM
    ADA2A_HUMAN P08913 Alpha-2a Adrenergic Receptor, Human 300 0.70 Functional ≤ 10μM
    ADA2B_HUMAN P18089 Alpha-2b Adrenergic Receptor, Human 300 0.70 Functional ≤ 10μM
    ADA2C_HUMAN P18825 Alpha-2c Adrenergic Receptor, Human 300 0.70 Functional ≤ 10μM
    ADRB1_RAT P18090 Beta-1 Adrenergic Receptor, Rat 230 0.71 Functional ≤ 10μM
    ADRB1_HUMAN P08588 Beta-1 Adrenergic Receptor, Human 15 0.84 Functional ≤ 10μM
    ADRB2_RAT P10608 Beta-2 Adrenergic Receptor, Rat 230 0.71 Functional ≤ 10μM
    ADRB2_HUMAN P07550 Beta-2 Adrenergic Receptor, Human 15 0.84 Functional ≤ 10μM
    ADRB2_CANFA P54833 Beta-2 Adrenergic Receptor, Canine 230 0.71 Functional ≤ 10μM
    ADRB3_RAT P26255 Beta-3 Adrenergic Receptor, Rat 230 0.71 Functional ≤ 10μM
    ADRB3_HUMAN P13945 Beta-3 Adrenergic Receptor, Human 31 0.81 Functional ≤ 10μM
    Z50512 Z50512 Cavia Porcellus 400 0.69 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.06 -2.8 -45.1 5 4 1 77 184.215 3
    Hi High (pH 8-9.5) -0.06 -4.26 -7.35 4 4 0 73 183.207 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ADA1A-3-E Alpha-1a Adrenergic Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
    ADA1B-1-E Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 2600 0.65 Binding ≤ 10μM
    ADA1D-1-E Alpha-1d Adrenergic Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 2600 0.65 Binding ≤ 10μM
    ADA2A-3-E Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 750 0.71 Binding ≤ 10μM
    ADA2B-4-E Alpha-2b Adrenergic Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 78 0.83 Binding ≤ 10μM
    ADA2C-3-E Alpha-2c Adrenergic Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 750 0.71 Binding ≤ 10μM
    ADRB1-1-E Beta-1 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 2700 0.65 Binding ≤ 10μM
    ADRB2-1-E Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 6000 0.61 Binding ≤ 10μM
    ADRB3-1-E Beta-3 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 0.70 Binding ≤ 10μM
    ADA1A-1-E Alpha-1a Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 150 0.80 Functional ≤ 10μM
    ADA1D-1-E Alpha-1d Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 150 0.80 Functional ≤ 10μM
    ADRB1-1-E Beta-1 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 52 0.85 Functional ≤ 10μM
    ADRB2-1-E Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 52 0.85 Functional ≤ 10μM
    ADRB3-1-E Beta-3 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 52 0.85 Functional ≤ 10μM
    DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
    Z104304-1-O Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other Other 7300 0.60 Binding ≤ 10μM
    Z104304-1-O Adrenergic Receptor Alpha-1 (cluster #1 Of 1), Other Other 200 0.78 Functional ≤ 10μM
    Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 1500 0.68 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    Z104304 Z104304 Adrenergic Receptor Alpha-1 1000 0.70 Binding ≤ 1μM
    ADA1A_RAT P43140 Alpha-1a Adrenergic Receptor, Rat 16 0.91 Binding ≤ 1μM
    ADA1B_RAT P15823 Alpha-1b Adrenergic Receptor, Rat 16 0.91 Binding ≤ 1μM
    ADA1D_RAT P23944 Alpha-1d Adrenergic Receptor, Rat 16 0.91 Binding ≤ 1μM
    ADA2A_HUMAN P08913 Alpha-2a Adrenergic Receptor, Human 110 0.81 Binding ≤ 1μM
    ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 16 0.91 Binding ≤ 1μM
    ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 16 0.91 Binding ≤ 1μM
    ADA2B_HUMAN P18089 Alpha-2b Adrenergic Receptor, Human 30 0.88 Binding ≤ 1μM
    ADA2C_RAT P22086 Alpha-2c Adrenergic Receptor, Rat 16 0.91 Binding ≤ 1μM
    ADA2C_HUMAN P18825 Alpha-2c Adrenergic Receptor, Human 30 0.88 Binding ≤ 1μM
    ADRB1_RAT P18090 Beta-1 Adrenergic Receptor, Rat 1000 0.70 Binding ≤ 1μM
    ADRB1_HUMAN P08588 Beta-1 Adrenergic Receptor, Human 400 0.75 Binding ≤ 1μM
    ADRB2_CANFA P54833 Beta-2 Adrenergic Receptor, Canine 1000 0.70 Binding ≤ 1μM
    ADRB3_RAT P26255 Beta-3 Adrenergic Receptor, Rat 1000 0.70 Binding ≤ 1μM
    Z104304 Z104304 Adrenergic Receptor Alpha-1 1000 0.70 Binding ≤ 10μM
    ADA1A_RAT P43140 Alpha-1a Adrenergic Receptor, Rat 16 0.91 Binding ≤ 10μM
    ADA1A_HUMAN P35348 Alpha-1a Adrenergic Receptor, Human 1500 0.68 Binding ≤ 10μM
    ADA1B_HUMAN P35368 Alpha-1b Adrenergic Receptor, Human 2600 0.65 Binding ≤ 10μM
    ADA1B_RAT P15823 Alpha-1b Adrenergic Receptor, Rat 16 0.91 Binding ≤ 10μM
    ADA1D_HUMAN P25100 Alpha-1d Adrenergic Receptor, Human 2600 0.65 Binding ≤ 10μM
    ADA1D_RAT P23944 Alpha-1d Adrenergic Receptor, Rat 16 0.91 Binding ≤ 10μM
    ADA2A_HUMAN P08913 Alpha-2a Adrenergic Receptor, Human 110 0.81 Binding ≤ 10μM
    ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 16 0.91 Binding ≤ 10μM
    ADA2B_HUMAN P18089 Alpha-2b Adrenergic Receptor, Human 30 0.88 Binding ≤ 10μM
    ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 16 0.91 Binding ≤ 10μM
    ADA2C_RAT P22086 Alpha-2c Adrenergic Receptor, Rat 16 0.91 Binding ≤ 10μM
    ADA2C_HUMAN P18825 Alpha-2c Adrenergic Receptor, Human 30 0.88 Binding ≤ 10μM
    ADRB1_HUMAN P08588 Beta-1 Adrenergic Receptor, Human 400 0.75 Binding ≤ 10μM
    ADRB1_RAT P18090 Beta-1 Adrenergic Receptor, Rat 1000 0.70 Binding ≤ 10μM
    ADRB2_HUMAN P07550 Beta-2 Adrenergic Receptor, Human 3980 0.63 Binding ≤ 10μM
    ADRB2_BOVIN Q28044 Beta-2 Adrenergic Receptor, Bovin 6000 0.61 Binding ≤ 10μM
    ADRB2_CANFA P54833 Beta-2 Adrenergic Receptor, Canine 1000 0.70 Binding ≤ 10μM
    ADRB3_RAT P26255 Beta-3 Adrenergic Receptor, Rat 1000 0.70 Binding ≤ 10μM
    Z104304 Z104304 Adrenergic Receptor Alpha-1 1.2 1.04 Functional ≤ 10μM
    ADA1A_RABIT O02824 Alpha-1a Adrenergic Receptor, Rabit 150 0.80 Functional ≤ 10μM
    ADA1D_RABIT O02666 Alpha-1d Adrenergic Receptor, Rabit 150 0.80 Functional ≤ 10μM
    ADRB1_HUMAN P08588 Beta-1 Adrenergic Receptor, Human 10000 0.58 Functional ≤ 10μM
    ADRB1_RAT P18090 Beta-1 Adrenergic Receptor, Rat 52 0.85 Functional ≤ 10μM
    ADRB2_HUMAN P07550 Beta-2 Adrenergic Receptor, Human 213 0.78 Functional ≤ 10μM
    ADRB2_RAT P10608 Beta-2 Adrenergic Receptor, Rat 52 0.85 Functional ≤ 10μM
    ADRB3_RAT P26255 Beta-3 Adrenergic Receptor, Rat 1580 0.68 Functional ≤ 10μM
    ADRB3_HUMAN P13945 Beta-3 Adrenergic Receptor, Human 2600 0.65 Functional ≤ 10μM
    Z50512 Z50512 Cavia Porcellus 1500 0.68 Functional ≤ 10μM
    DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 0.1 1.17 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -1.04 -4.68 -50.09 6 4 1 88 170.188 2
    Hi High (pH 8-9.5) -1.04 -5.06 -7.63 5 4 0 87 169.18 2

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z50425-11-O Plasmodium Falciparum (cluster #11 Of 22), Other Other 7943 0.60 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    Z50425 Z50425 Plasmodium Falciparum 7943.28235 0.59 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -1.04 -4.76 -51.58 6 4 1 88 170.188 2
    Hi High (pH 8-9.5) -1.04 -5.21 -8.21 5 4 0 87 169.18 2

    Analogs

    Draw Identity 99% 90% 80% 70%

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    FYN-5-E Tyrosine-protein Kinase FYN (cluster #5 Of 5), Eukaryotic Eukaryotes 900 2.12 Binding ≤ 10μM
    LCK-4-E Tyrosine-protein Kinase LCK (cluster #4 Of 4), Eukaryotic Eukaryotes 640 2.17 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    FYN_HUMAN P06241 Tyrosine-protein Kinase FYN, Human 900 2.12 Binding ≤ 1μM
    LCK_HUMAN P06239 Tyrosine-protein Kinase LCK, Human 640 2.17 Binding ≤ 1μM
    FYN_HUMAN P06241 Tyrosine-protein Kinase FYN, Human 900 2.12 Binding ≤ 10μM
    LCK_HUMAN P06239 Tyrosine-protein Kinase LCK, Human 1300 2.06 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.23 1.16 -44.05 0 2 -1 40 59.044 0

    Parameters Provided:

    page.format = targets
    page.num = 1
    catalog.name = hitnp
    filter.purchasability = purchasable
    

    Structural Results Found: (before additional filtering)

    SQL Query Was

    SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1 AND c.short_name LIKE 'hitnp' AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

    Permalink

    Embed Link to Results

  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
  • Notice: Undefined index: field_name
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 244
  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245