UCSF

ChEMBL12 10uM

Binding 10μM Binding 1μM Functional 10μM ADME/T 10μM

Binding 10μM Targets with Highest Number of Available Compounds (3528 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
FA10_HUMAN P00742 CHEMBL244 Coagulation factor X 4668 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_RAT P61169 CHEMBL339 Dopamine D2 receptor 4512 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_HUMAN P31645 CHEMBL228 Serotonin transporter 3923 Annotations Catalogs SMILES SDF Mol2 Flexibase
THRB_HUMAN P00734 CHEMBL204 Thrombin 3882 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A_RAT P19327 CHEMBL273 Serotonin 1a (5-HT1a) receptor 3802 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_HUMAN P14416 CHEMBL217 Dopamine D2 receptor 3605 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_RAT P31652 CHEMBL313 Serotonin transporter 3574 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRK_HUMAN P41145 CHEMBL237 Kappa opioid receptor 3352 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q72874_9HIV1 Q72874 CHEMBL243 Human immunodeficiency virus type 1 protease 3350 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR2_HUMAN P35968 CHEMBL279 Vascular endothelial growth factor receptor 2 3317 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRM_HUMAN P35372 CHEMBL233 Mu opioid receptor 3198 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R_RAT P25099 CHEMBL318 Adenosine A1 receptor 3187 Annotations Catalogs SMILES SDF Mol2 Flexibase
DPP4_HUMAN P27487 CHEMBL284 Dipeptidyl peptidase IV 2891 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3_RAT P23977 CHEMBL338 Dopamine transporter 2868 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_RAT P30543 CHEMBL302 Adenosine A2a receptor 2824 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104304 Z104304 CHEMBL1907610 Adrenergic receptor alpha-1 2788 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH2_HUMAN P00918 CHEMBL205 Carbonic anhydrase II 2740 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK14_HUMAN Q16539 CHEMBL260 MAP kinase p38 alpha 2712 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR1_HUMAN P21554 CHEMBL218 Cannabinoid CB1 receptor 2704 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A2_HUMAN P23975 CHEMBL222 Norepinephrine transporter 2655 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA3R_HUMAN P33765 CHEMBL256 Adenosine A3 receptor 2612 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2_HUMAN Q12809 CHEMBL240 HERG 2604 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP1_HUMAN P03956 CHEMBL332 Matrix metalloproteinase-1 2601 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R_HUMAN P30542 CHEMBL226 Adenosine A1 receptor 2572 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A_HUMAN P08908 CHEMBL214 Serotonin 1a (5-HT1a) receptor 2567 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP2_HUMAN P08253 CHEMBL333 Matrix metalloproteinase-2 2567 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_HUMAN P29274 CHEMBL251 Adenosine A2a receptor 2562 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRD_HUMAN P41143 CHEMBL236 Delta opioid receptor 2551 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_RAT P14842 CHEMBL322 Serotonin 2a (5-HT2a) receptor 2533 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR_HUMAN P00533 CHEMBL203 Epidermal growth factor receptor erbB1 2490 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP13_HUMAN P45452 CHEMBL280 Matrix metalloproteinase 13 2448 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR2_HUMAN P34972 CHEMBL253 Cannabinoid CB2 receptor 2422 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_HUMAN P35462 CHEMBL234 Dopamine D3 receptor 2251 Annotations Catalogs SMILES SDF Mol2 Flexibase
MCHR1_HUMAN Q99705 CHEMBL344 Melanin-concentrating hormone receptor 1 2215 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH3_HUMAN Q9Y5N1 CHEMBL264 Histamine H3 receptor 2209 Annotations Catalogs SMILES SDF Mol2 Flexibase
NK1R_HUMAN P25103 CHEMBL249 Neurokinin 1 receptor 2167 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3_HUMAN Q01959 CHEMBL238 Dopamine transporter 2159 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2_HUMAN P35354 CHEMBL230 Cyclooxygenase-2 2138 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q72547_9HIV1 Q72547 CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase 2121 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK2_HUMAN P24941 CHEMBL301 Cyclin-dependent kinase 2 2098 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRM_RAT P33535 CHEMBL270 Mu opioid receptor 2088 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP3_HUMAN P08254 CHEMBL283 Matrix metalloproteinase 3 2082 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP9_HUMAN P14780 CHEMBL321 Matrix metalloproteinase 9 2073 Annotations Catalogs SMILES SDF Mol2 Flexibase
SRC_HUMAN P12931 CHEMBL267 Tyrosine-protein kinase SRC 2066 Annotations Catalogs SMILES SDF Mol2 Flexibase
MC4R_HUMAN P32245 CHEMBL259 Melanocortin receptor 4 2055 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104301 Z104301 CHEMBL1907607 GABA-A receptor; anion channel 2027 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH1_HUMAN P00915 CHEMBL261 Carbonic anhydrase I 1976 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104302 Z104302 CHEMBL1907608 Glutamate NMDA receptor 1970 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_HUMAN P28223 CHEMBL224 Serotonin 2a (5-HT2a) receptor 1969 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1_HUMAN Q99720 CHEMBL287 Sigma opioid receptor 1861 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4_HUMAN P21917 CHEMBL219 Dopamine D4 receptor 1827 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_HUMAN P22303 CHEMBL220 Acetylcholinesterase 1824 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP19A_HUMAN P11511 CHEMBL1978 Cytochrome P450 19A1 1816 Annotations Catalogs SMILES SDF Mol2 Flexibase
FNTA_HUMAN P49354 CHEMBL271 Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit 1763 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCR5_HUMAN P51681 CHEMBL274 C-C chemokine receptor type 5 1725 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG_HUMAN P37231 CHEMBL235 Peroxisome proliferator-activated receptor gamma 1718 Annotations Catalogs SMILES SDF Mol2 Flexibase
FNTB_HUMAN P49356 CHEMBL272 Protein farnesyltransferase beta subunit 1709 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_HUMAN P28335 CHEMBL225 Serotonin 2c (5-HT2c) receptor 1705 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRY1_HUMAN P07477 CHEMBL209 Trypsin I 1695 Annotations Catalogs SMILES SDF Mol2 Flexibase
GCR_HUMAN P04150 CHEMBL2034 Glucocorticoid receptor 1680 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_RAT P08909 CHEMBL324 Serotonin 2c (5-HT2c) receptor 1672 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR1_HUMAN P03372 CHEMBL206 Estrogen receptor alpha 1657 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR2_HUMAN Q92731 CHEMBL242 Estrogen receptor beta 1651 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC1_HUMAN Q13547 CHEMBL325 Histone deacetylase 1 1611 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRD_RAT P33533 CHEMBL269 Delta opioid receptor 1589 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA17_HUMAN P78536 CHEMBL3706 ADAM17 1577 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTRB_RAT P29089 CHEMBL263 Angiotensin II type 1b (AT-1b) receptor 1553 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR_HUMAN P10275 CHEMBL1871 Androgen Receptor 1542 Annotations Catalogs SMILES SDF Mol2 Flexibase
CATK_HUMAN P43235 CHEMBL268 Cathepsin K 1514 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104292 Z104292 CHEMBL1907598 Integrin alpha-V/beta-3 1476 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT6R_HUMAN P50406 CHEMBL3371 Serotonin 6 (5-HT6) receptor 1461 Annotations Catalogs SMILES SDF Mol2 Flexibase
RENI_HUMAN P00797 CHEMBL286 Renin 1421 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE4B_HUMAN Q07343 CHEMBL275 Phosphodiesterase 4B 1403 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARA_HUMAN Q07869 CHEMBL239 Peroxisome proliferator-activated receptor alpha 1398 Annotations Catalogs SMILES SDF Mol2 Flexibase
BACE1_HUMAN P56817 CHEMBL4822 Beta-secretase 1 1397 Annotations Catalogs SMILES SDF Mol2 Flexibase
DHI1_HUMAN P28845 CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 1394 Annotations Catalogs SMILES SDF Mol2 Flexibase
ITA2B_HUMAN P08514 CHEMBL212 Integrin alpha-IIb 1394 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE4A_HUMAN P27815 CHEMBL254 Phosphodiesterase 4A 1383 Annotations Catalogs SMILES SDF Mol2 Flexibase
ITB3_HUMAN P05106 CHEMBL207 Integrin beta-3 1382 Annotations Catalogs SMILES SDF Mol2 Flexibase
ELNE_HUMAN P08246 CHEMBL248 Leukocyte elastase 1361 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE4D_HUMAN Q08499 CHEMBL288 Phosphodiesterase 4D 1354 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9WTR4_RAT Q9WTR4 CHEMBL304 Norepinephrine transporter 1339 Annotations Catalogs SMILES SDF Mol2 Flexibase
PRGR_HUMAN P06401 CHEMBL208 Progesterone receptor 1323 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR1_RAT P20272 CHEMBL3571 Cannabinoid CB1 receptor 1320 Annotations Catalogs SMILES SDF Mol2 Flexibase
GSK3B_HUMAN P49841 CHEMBL262 Glycogen synthase kinase-3 beta 1319 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2BR_RAT P29276 CHEMBL2592 Adenosine A2b receptor 1311 Annotations Catalogs SMILES SDF Mol2 Flexibase
LCK_HUMAN P06239 CHEMBL258 Tyrosine-protein kinase LCK 1307 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B_RAT P30994 CHEMBL323 Serotonin 2b (5-HT2b) receptor 1301 Annotations Catalogs SMILES SDF Mol2 Flexibase
CHK1_HUMAN O14757 CHEMBL4630 Serine/threonine-protein kinase Chk1 1265 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCKAR_RAT P30551 CHEMBL2871 Cholecystokinin A receptor 1262 Annotations Catalogs SMILES SDF Mol2 Flexibase
PARP1_HUMAN P09874 CHEMBL3105 Poly [ADP-ribose] polymerase-1 1262 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH4_BOVIN Q95323 CHEMBL281 Carbonic anhydrase IV 1230 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1_RAT P18901 CHEMBL265 Dopamine D1 receptor 1230 Annotations Catalogs SMILES SDF Mol2 Flexibase
CRFR1_HUMAN P34998 CHEMBL1800 Corticotropin releasing factor receptor 1 1228 Annotations Catalogs SMILES SDF Mol2 Flexibase
CATS_HUMAN P25774 CHEMBL2954 Cathepsin S 1220 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE5A_HUMAN O76074 CHEMBL1827 Phosphodiesterase 5A 1219 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_RAT P12527 CHEMBL312 Arachidonate 5-lipoxygenase 1206 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRX_HUMAN P41146 CHEMBL2014 Nociceptin receptor 1205 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B_RAT P19328 CHEMBL266 Alpha-2b adrenergic receptor 1197 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A_RAT P22909 CHEMBL327 Alpha-2a adrenergic receptor 1180 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A_HUMAN P35348 CHEMBL229 Alpha-1a adrenergic receptor 1179 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104303 Z104303 CHEMBL1907609 Muscarinic acetylcholine receptor 1178 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1B_HUMAN P35368 CHEMBL232 Alpha-1b adrenergic receptor 1168 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM2_HUMAN P08172 CHEMBL211 Muscarinic acetylcholine receptor M2 1166 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK1_HUMAN P06493 CHEMBL308 Cyclin-dependent kinase 1 1155 Annotations Catalogs SMILES SDF Mol2 Flexibase
PK3CA_HUMAN P42336 CHEMBL4005 PI3-kinase p110-alpha subunit 1155 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C_RAT P22086 CHEMBL314 Alpha-2c adrenergic receptor 1152 Annotations Catalogs SMILES SDF Mol2 Flexibase
PTN1_HUMAN P18031 CHEMBL335 Protein-tyrosine phosphatase 1B 1147 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACE_HUMAN P12821 CHEMBL1808 Angiotensin-converting enzyme 1146 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2BR_HUMAN P29275 CHEMBL255 Adenosine A2b receptor 1137 Annotations Catalogs SMILES SDF Mol2 Flexibase
EDNRA_HUMAN P25101 CHEMBL252 Endothelin receptor ET-A 1113 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1_RAT Q9R0C9 CHEMBL3602 Sigma opioid receptor 1113 Annotations Catalogs SMILES SDF Mol2 Flexibase
NPY5R_HUMAN Q15761 CHEMBL4561 Neuropeptide Y receptor type 5 1087 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D_HUMAN P28221 CHEMBL1983 Serotonin 1d (5-HT1d) receptor 1074 Annotations Catalogs SMILES SDF Mol2 Flexibase
CHLE_HUMAN P06276 CHEMBL1914 Butyrylcholinesterase 1065 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG2_HUMAN P18507 CHEMBL1788 GABA receptor gamma-2 subunit 1065 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCR2_HUMAN P41597 CHEMBL4015 C-C chemokine receptor type 2 1060 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTRA_RAT P25095 CHEMBL329 Angiotensin II type 1a (AT-1a) receptor 1057 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCA_HUMAN P17252 CHEMBL299 Protein kinase C alpha 1056 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE4C_HUMAN Q08493 CHEMBL291 Phosphodiesterase 4C 1052 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1D_HUMAN P25100 CHEMBL223 Alpha-1d adrenergic receptor 1050 Annotations Catalogs SMILES SDF Mol2 Flexibase
S5A1_HUMAN P18405 CHEMBL1787 Steroid 5-alpha-reductase 1 1045 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1_HUMAN P11229 CHEMBL216 Muscarinic acetylcholine receptor M1 1028 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_RAT P19020 CHEMBL3138 Dopamine D3 receptor 1027 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB3_HUMAN P28472 CHEMBL1847 GABA receptor beta-3 subunit 1016 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM3_HUMAN P20309 CHEMBL245 Muscarinic acetylcholine receptor M3 1011 Annotations Catalogs SMILES SDF Mol2 Flexibase
S5A2_HUMAN P31213 CHEMBL1856 Steroid 5-alpha-reductase 2 959 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_HUMAN P23219 CHEMBL221 Cyclooxygenase-1 956 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1_HUMAN P14867 CHEMBL1962 GABA receptor alpha-1 subunit 954 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104290 Z104290 CHEMBL1907596 Neuronal acetylcholine receptor; alpha4/beta2 952 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA3_HUMAN P34903 CHEMBL3026 GABA receptor alpha-3 subunit 951 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA5_HUMAN P31644 CHEMBL5112 GABA receptor alpha-5 subunit 950 Annotations Catalogs SMILES SDF Mol2 Flexibase
THAS_HUMAN P24557 CHEMBL1835 Thromboxane-A synthase 950 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH3_RAT Q9QYN8 CHEMBL4124 Histamine H3 receptor 949 Annotations Catalogs SMILES SDF Mol2 Flexibase
CASP1_HUMAN P29466 CHEMBL4801 Caspase-1 946 Annotations Catalogs SMILES SDF Mol2 Flexibase
AKT1_HUMAN P31749 CHEMBL4282 Serine/threonine-protein kinase AKT 945 Annotations Catalogs SMILES SDF Mol2 Flexibase
GNRHR_HUMAN P30968 CHEMBL1855 Gonadotropin-releasing hormone receptor 942 Annotations Catalogs SMILES SDF Mol2 Flexibase
SOAT1_HUMAN P35610 CHEMBL2782 Acyl coenzyme A:cholesterol acyltransferase 1 940 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAN1_HUMAN P07384 CHEMBL3891 Calpain 1 934 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B_HUMAN P28222 CHEMBL1898 Serotonin 1b (5-HT1b) receptor 928 Annotations Catalogs SMILES SDF Mol2 Flexibase
AURKA_HUMAN O14965 CHEMBL4722 Serine/threonine-protein kinase Aurora-A 920 Annotations Catalogs SMILES SDF Mol2 Flexibase
HYES_HUMAN P34913 CHEMBL2409 Epoxide hydratase 917 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1_RAT P08482 CHEMBL276 Muscarinic acetylcholine receptor M1 915 Annotations Catalogs SMILES SDF Mol2 Flexibase
CATL1_HUMAN P07711 CHEMBL3837 Cathepsin L 914 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERBB2_HUMAN P04626 CHEMBL1824 Receptor protein-tyrosine kinase erbB-2 914 Annotations Catalogs SMILES SDF Mol2 Flexibase
ABL1_HUMAN P00519 CHEMBL1862 Tyrosine-protein kinase ABL 912 Annotations Catalogs SMILES SDF Mol2 Flexibase
CASP3_HUMAN P42574 CHEMBL2334 Caspase-3 910 Annotations Catalogs SMILES SDF Mol2 Flexibase
HMDH_RAT P51639 CHEMBL3247 HMG-CoA reductase 908 Annotations Catalogs SMILES SDF Mol2 Flexibase
EDNRA_RAT P26684 CHEMBL4566 Endothelin receptor ET-A 905 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH9_HUMAN Q16790 CHEMBL3594 Carbonic anhydrase IX 904 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCR3_HUMAN P51677 CHEMBL3473 C-C chemokine receptor type 3 902 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP8_HUMAN P22894 CHEMBL4588 Matrix metalloproteinase 8 899 Annotations Catalogs SMILES SDF Mol2 Flexibase
NEP_HUMAN P08473 CHEMBL1944 Neprilysin 891 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_HUMAN P09917 CHEMBL215 Arachidonate 5-lipoxygenase 876 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q8JXU8_9HEPC Q8JXU8 CHEMBL5375 Hepatitis C virus NS5B RNA-dependent RNA polymerase 867 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTOR_HUMAN P42345 CHEMBL2842 FK506 binding protein 12 848 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1B_HUMAN P49286 CHEMBL1946 Melatonin receptor 1B 845 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR_HUMAN P00374 CHEMBL202 Dihydrofolate reductase 843 Annotations Catalogs SMILES SDF Mol2 Flexibase
TA2R_HUMAN P21731 CHEMBL2069 Thromboxane A2 receptor 834 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA2_HUMAN P47869 CHEMBL4956 GABA receptor alpha-2 subunit 828 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA7_RAT Q05941 CHEMBL4980 Neuronal acetylcholine receptor protein alpha-7 subunit 826 Annotations Catalogs SMILES SDF Mol2 Flexibase
SOAT1_RAT O70536 CHEMBL285 Acyl coenzyme A:cholesterol acyltransferase 1 814 Annotations Catalogs SMILES SDF Mol2 Flexibase
GASR_HUMAN P32239 CHEMBL298 Cholecystokinin B receptor 798 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_HUMAN P07550 CHEMBL210 Beta-2 adrenergic receptor 796 Annotations Catalogs SMILES SDF Mol2 Flexibase
CATB_HUMAN P07858 CHEMBL4072 Cathepsin B 796 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRB_HUMAN P09619 CHEMBL1913 Platelet-derived growth factor receptor beta 793 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104293 Z104293 CHEMBL1907599 Integrin alpha-4/beta-1 790 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTR1_HUMAN P30556 CHEMBL227 Angiotensin II type 1 receptor 777 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTR2_RAT P35351 CHEMBL257 Angiotensin II type 2 (AT-2) receptor 775 Annotations Catalogs SMILES SDF Mol2 Flexibase
FAAH1_RAT P97612 CHEMBL3229 Anandamide amidohydrolase 771 Annotations Catalogs SMILES SDF Mol2 Flexibase
UROK_HUMAN P00749 CHEMBL3286 Urokinase-type plasminogen activator 765 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPR44_HUMAN Q9Y5Y4 CHEMBL5071 G protein-coupled receptor 44 764 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_ELEEL O42275 CHEMBL4078 Acetylcholinesterase 762 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC6_HUMAN Q9UBN7 CHEMBL1865 Histone deacetylase 6 762 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1A_HUMAN P48039 CHEMBL1945 Melatonin receptor 1A 761 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDZ1_RAT P35439 CHEMBL330 Glutamate (NMDA) receptor subunit zeta 1 750 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT7R_HUMAN P34969 CHEMBL3155 Serotonin 7 (5-HT7) receptor 740 Annotations Catalogs SMILES SDF Mol2 Flexibase
PTAFR_HUMAN P25105 CHEMBL250 Platelet activating factor receptor 735 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1_HUMAN P08588 CHEMBL213 Beta-1 adrenergic receptor 725 Annotations Catalogs SMILES SDF Mol2 Flexibase
EDNRB_HUMAN P24530 CHEMBL1785 Endothelin receptor ET-B 717 Annotations Catalogs SMILES SDF Mol2 Flexibase
IGF1R_HUMAN P08069 CHEMBL1957 Insulin-like growth factor I receptor 716 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R_BOVIN P28190 CHEMBL4975 Adenosine A1 receptor 712 Annotations Catalogs SMILES SDF Mol2 Flexibase
LT4R1_HUMAN Q15722 CHEMBL3911 Leukotriene B4 receptor 1 706 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1_CAVPO Q60492 CHEMBL4153 Sigma-1 receptor 702 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A_RAT P35563 CHEMBL2411 Serotonin 3a (5-HT3a) receptor 699 Annotations Catalogs SMILES SDF Mol2 Flexibase
ITA4_HUMAN P13612 CHEMBL278 Integrin alpha-4 695 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP17A_HUMAN P05093 CHEMBL3522 Cytochrome P450 17A1 690 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_RAT P37136 CHEMBL3199 Acetylcholinesterase 686 Annotations Catalogs SMILES SDF Mol2 Flexibase
CLTR1_HUMAN Q9Y271 CHEMBL1798 Cysteinyl leukotriene receptor 1 676 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A_HUMAN P08913 CHEMBL1867 Alpha-2a adrenergic receptor 675 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA2_RAT P19491 CHEMBL3503 Glutamate receptor ionotropic, AMPA 2 669 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA3_RAT P19492 CHEMBL3504 Glutamate receptor ionotropic, AMPA 3 666 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3B_RAT Q9JJ16 CHEMBL3458 Serotonin 3b (5-HT3b) receptor 663 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B_HUMAN P41595 CHEMBL1833 Serotonin 2b (5-HT2b) receptor 662 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS2_HUMAN P35228 CHEMBL4481 Nitric oxide synthase, inducible 660 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE3A_HUMAN Q14432 CHEMBL241 Phosphodiesterase 3A 660 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA4_RAT P19493 CHEMBL3505 Glutamate receptor ionotropic, AMPA 4 657 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC2_HUMAN Q92769 CHEMBL1937 Histone deacetylase 2 656 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM2_RAT P10980 CHEMBL309 Muscarinic acetylcholine receptor M2 655 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNE1_HUMAN P24864 CHEMBL3617 G1/S-specific cyclin E1 652 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARD_HUMAN Q03181 CHEMBL3979 Peroxisome proliferator-activated receptor delta 652 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNE2_HUMAN O96020 CHEMBL2884 G1/S-specific cyclin E2 651 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCD_HUMAN Q05655 CHEMBL2996 Protein kinase C delta 644 Annotations Catalogs SMILES SDF Mol2 Flexibase
FNTA_BOVIN P29702 CHEMBL2377 Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit 640 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE3B_HUMAN Q13370 CHEMBL290 Phosphodiesterase 3B 640 Annotations Catalogs SMILES SDF Mol2 Flexibase
GHSR_HUMAN Q92847 CHEMBL4616 Ghrelin receptor 638 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNA2_HUMAN P20248 CHEMBL2582 Cyclin A2 637 Annotations Catalogs SMILES SDF Mol2 Flexibase
ROCK2_HUMAN O75116 CHEMBL2973 Rho-associated protein kinase 2 636 Annotations Catalogs SMILES SDF Mol2 Flexibase
FNTB_BOVIN P49355 CHEMBL4671 Protein farnesyltransferase beta subunit 633 Annotations Catalogs SMILES SDF Mol2 Flexibase
IKKB_HUMAN O14920 CHEMBL1991 Inhibitor of nuclear factor kappa B kinase beta subunit 630 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1_HUMAN P21728 CHEMBL2056 Dopamine D1 receptor 629 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK4_HUMAN P11802 CHEMBL331 Cyclin-dependent kinase 4 628 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALDR_HUMAN P15121 CHEMBL1900 Aldose reductase 618 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFA_RAT P21396 CHEMBL3358 Monoamine oxidase A 618 Annotations Catalogs SMILES SDF Mol2 Flexibase
CRFR1_RAT P35353 CHEMBL4649 Corticotropin releasing factor receptor 1 616 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C_HUMAN P18825 CHEMBL1916 Alpha-2c adrenergic receptor 605 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A9_HUMAN P48067 CHEMBL2337 Glycine transporter 1 604 Annotations Catalogs SMILES SDF Mol2 Flexibase
CATD_HUMAN P07339 CHEMBL2581 Cathepsin D 602 Annotations Catalogs SMILES SDF Mol2 Flexibase
FAAH1_HUMAN O00519 CHEMBL2243 Anandamide amidohydrolase 600 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNA1_HUMAN P78396 CHEMBL3609 Cyclin A1 587 Annotations Catalogs SMILES SDF Mol2 Flexibase
PYGL_HUMAN P06737 CHEMBL2568 Liver glycogen phosphorylase 586 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR_RAT Q920D2 CHEMBL2363 Dihydrofolate reductase 585 Annotations Catalogs SMILES SDF Mol2 Flexibase
TIE2_HUMAN Q02763 CHEMBL4128 Tyrosine-protein kinase TIE-2 584 Annotations Catalogs SMILES SDF Mol2 Flexibase
DHI1_MOUSE P50172 CHEMBL3910 11-beta-hydroxysteroid dehydrogenase 1 578 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS1_HUMAN P29475 CHEMBL3568 Nitric-oxide synthase, brain 577 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK08_HUMAN P45983 CHEMBL2276 c-Jun N-terminal kinase 1 576 Annotations Catalogs SMILES SDF Mol2 Flexibase
KIF11_HUMAN P52732 CHEMBL4581 Kinesin-like protein 1 575 Annotations Catalogs SMILES SDF Mol2 Flexibase
MET_HUMAN P08581 CHEMBL3717 Hepatocyte growth factor receptor 574 Annotations Catalogs SMILES SDF Mol2 Flexibase
PK3CG_HUMAN P48736 CHEMBL3267 PI3-kinase p110-gamma subunit 574 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC8_HUMAN Q9BY41 CHEMBL3192 Histone deacetylase 8 572 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100491 Z100491 CHEMBL613288 Sigma 2 receptor 570 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA1_MOUSE P23818 CHEMBL3502 Glutamate receptor ionotropic, AMPA 1 567 Annotations Catalogs SMILES SDF Mol2 Flexibase
MAPK2_HUMAN P49137 CHEMBL2208 MAP kinase-activated protein kinase 2 562 Annotations Catalogs SMILES SDF Mol2 Flexibase
FGFR1_HUMAN P11362 CHEMBL3650 Fibroblast growth factor receptor 1 559 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5_RAT P31424 CHEMBL2564 Metabotropic glutamate receptor 5 557 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCA_MOUSE P20444 CHEMBL2567 Protein kinase C alpha 557 Annotations Catalogs SMILES SDF Mol2 Flexibase
NPY1R_HUMAN P25929 CHEMBL4777 Neuropeptide Y receptor type 1 555 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC3_HUMAN O15379 CHEMBL1829 Histone deacetylase 3 553 Annotations Catalogs SMILES SDF Mol2 Flexibase
FA7_HUMAN P08709 CHEMBL3991 Coagulation factor VII 549 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4_RAT P30729 CHEMBL3361 Dopamine D4 receptor 546 Annotations Catalogs SMILES SDF Mol2 Flexibase
PLMN_HUMAN P00747 CHEMBL1801 Plasminogen 543 Annotations Catalogs SMILES SDF Mol2 Flexibase
CETP_HUMAN P11597 CHEMBL3572 Cholesteryl ester transfer protein 542 Annotations Catalogs SMILES SDF Mol2 Flexibase
GNRHR_RAT P30969 CHEMBL3066 Gonadotropin-releasing hormone receptor 541 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC4_HUMAN P56524 CHEMBL3524 Histone deacetylase 4 537 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNA5_HUMAN P22460 CHEMBL4306 Voltage-gated potassium channel subunit Kv1.5 537 Annotations Catalogs SMILES SDF Mol2 Flexibase
NEP_RAT P07861 CHEMBL3369 Neprilysin 537 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRTS_TOXGO Q07422 CHEMBL2425 Dihydrofolate reductase 535 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRK_RAT P34975 CHEMBL3614 Kappa opioid receptor 532 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGTB1_HUMAN P53609 CHEMBL4135 Geranylgeranyl transferase type I beta subunit 528 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCT_HUMAN Q04759 CHEMBL3920 Protein kinase C theta 527 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR1_HUMAN P17948 CHEMBL1868 Vascular endothelial growth factor receptor 1 524 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH1_HUMAN P35367 CHEMBL231 Histamine H1 receptor 522 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A_RAT P43140 CHEMBL319 Alpha-1a adrenergic receptor 520 Annotations Catalogs SMILES SDF Mol2 Flexibase
NK3R_HUMAN P29371 CHEMBL4429 Neurokinin 3 receptor 519 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC5A2_HUMAN P31639 CHEMBL3884 Sodium/glucose cotransporter 2 519 Annotations Catalogs SMILES SDF Mol2 Flexibase
S5A1_RAT P24008 CHEMBL3422 Steroid 5-alpha-reductase 1 515 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM4_HUMAN P08173 CHEMBL1821 Muscarinic acetylcholine receptor M4 512 Annotations Catalogs SMILES SDF Mol2 Flexibase
PRKDC_HUMAN P78527 CHEMBL3142 DNA-dependent protein kinase 512 Annotations Catalogs SMILES SDF Mol2 Flexibase
S5A2_RAT P31214 CHEMBL5099 Steroid 5-alpha-reductase 2 512 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104295 Z104295 CHEMBL1907601 Cyclin-dependent kinase 4/cyclin D1 508 Annotations Catalogs SMILES SDF Mol2 Flexibase
IMDH2_HUMAN P12268 CHEMBL2002 Inosine-5'-monophosphate dehydrogenase 2 504 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFB_RAT P19643 CHEMBL2993 Monoamine oxidase B 501 Annotations Catalogs SMILES SDF Mol2 Flexibase
DPP2_HUMAN Q9UHL4 CHEMBL3976 Dipeptidyl peptidase II 500 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD5_RAT P25115 CHEMBL2281 Dopamine D5 receptor 500 Annotations Catalogs SMILES SDF Mol2 Flexibase
TSPO_RAT P16257 CHEMBL4552 Peripheral-type benzodiazepine receptor 499 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCB_HUMAN P05771 CHEMBL3045 Protein kinase C beta 497 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFB_HUMAN P27338 CHEMBL2039 Monoamine oxidase B 494 Annotations Catalogs SMILES SDF Mol2 Flexibase
KIT_HUMAN P10721 CHEMBL1936 Stem cell growth factor receptor 493 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB3_HUMAN P13945 CHEMBL246 Beta-3 adrenergic receptor 489 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPV1_RAT O35433 CHEMBL5102 Vanilloid receptor 489 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACE_RAT P47820 CHEMBL2625 Angiotensin-converting enzyme 487 Annotations Catalogs SMILES SDF Mol2 Flexibase
S1PR1_HUMAN P21453 CHEMBL4333 Sphingosine 1-phosphate receptor Edg-1 487 Annotations Catalogs SMILES SDF Mol2 Flexibase
AURKB_HUMAN Q96GD4 CHEMBL2185 Serine/threonine-protein kinase Aurora-B 486 Annotations Catalogs SMILES SDF Mol2 Flexibase
CXCR3_HUMAN P49682 CHEMBL4441 C-X-C chemokine receptor type 3 486 Annotations Catalogs SMILES SDF Mol2 Flexibase
GLR_HUMAN P47871 CHEMBL1985 Glucagon receptor 483 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM2_RAT P31421 CHEMBL2851 Metabotropic glutamate receptor 2 482 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAN2_HUMAN P17655 CHEMBL2382 Calpain 2 477 Annotations Catalogs SMILES SDF Mol2 Flexibase
JAK2_HUMAN O60674 CHEMBL2971 Tyrosine-protein kinase JAK2 475 Annotations Catalogs SMILES SDF Mol2 Flexibase
NR1H3_HUMAN Q13133 CHEMBL2808 LXR-alpha 475 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE2_RAT Q00960 CHEMBL311 Glutamate [NMDA] receptor subunit epsilon 2 473 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA4_RAT P09483 CHEMBL307 Neuronal acetylcholine receptor protein alpha-4 subunit 471 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH4_HUMAN Q9H3N8 CHEMBL3759 Histamine H4 receptor 470 Annotations Catalogs SMILES SDF Mol2 Flexibase
CXCR2_HUMAN P25025 CHEMBL2434 Interleukin-8 receptor B 469 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK10_HUMAN P53779 CHEMBL2637 c-Jun N-terminal kinase 3 468 Annotations Catalogs SMILES SDF Mol2 Flexibase
FDFT_RAT Q02769 CHEMBL3815 Squalene synthetase 466 Annotations Catalogs SMILES SDF Mol2 Flexibase
ITAL_HUMAN P20701 CHEMBL1803 Leukocyte adhesion glycoprotein LFA-1 alpha 464 Annotations Catalogs SMILES SDF Mol2 Flexibase
PE2R3_HUMAN P43115 CHEMBL3710 Prostanoid EP3 receptor 462 Annotations Catalogs SMILES SDF Mol2 Flexibase
MP2K1_HUMAN Q02750 CHEMBL3587 Dual specificity mitogen-activated protein kinase kinase 1 461 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH12_HUMAN O43570 CHEMBL3242 Carbonic anhydrase XII 459 Annotations Catalogs SMILES SDF Mol2 Flexibase
ITK_HUMAN Q08881 CHEMBL2959 Tyrosine-protein kinase ITK/TSK 457 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q7ZJM1_9HIV1 Q7ZJM1 CHEMBL3471 Human immunodeficiency virus type 1 integrase 454 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B_RAT P28564 CHEMBL3459 Serotonin 1b (5-HT1b) receptor 452 Annotations Catalogs SMILES SDF Mol2 Flexibase
NK2R_HUMAN P21452 CHEMBL2327 Neurokinin 2 receptor 452 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104294 Z104294 CHEMBL1907600 Cyclin-dependent kinase 5/CDK5 activator 1 449 Annotations Catalogs SMILES SDF Mol2 Flexibase
A3EZI9_9HEPC A3EZI9 CHEMBL4893 Hepatitis C virus NS3 protease/helicase 448 Annotations Catalogs SMILES SDF Mol2 Flexibase
FLT3_HUMAN P36888 CHEMBL1974 Tyrosine-protein kinase receptor FLT3 447 Annotations Catalogs SMILES SDF Mol2 Flexibase
JAK3_HUMAN P52333 CHEMBL2148 Tyrosine-protein kinase JAK3 447 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP7_HUMAN P09237 CHEMBL4073 Matrix metalloproteinase 7 447 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRK_CAVPO P41144 CHEMBL3952 Kappa opioid receptor 447 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM5_HUMAN P08912 CHEMBL2035 Muscarinic acetylcholine receptor M5 445 Annotations Catalogs SMILES SDF Mol2 Flexibase
CSF1R_HUMAN P07333 CHEMBL1844 Macrophage colony stimulating factor receptor 445 Annotations Catalogs SMILES SDF Mol2 Flexibase
ECE1_HUMAN P42892 CHEMBL4791 Endothelin-converting enzyme 1 445 Annotations Catalogs SMILES SDF Mol2 Flexibase
EDNRB_PIG P35463 CHEMBL3949 Endothelin receptor ET-B 444 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDR1_HUMAN P08183 CHEMBL4302 P-glycoprotein 1 442 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA3R_RAT P28647 CHEMBL3360 Adenosine A3 receptor 440 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCKAR_HUMAN P32238 CHEMBL1901 Cholecystokinin A receptor 437 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5_HUMAN P41594 CHEMBL3227 Metabotropic glutamate receptor 5 435 Annotations Catalogs SMILES SDF Mol2 Flexibase
NR1H2_HUMAN P55055 CHEMBL4093 LXR-beta 433 Annotations Catalogs SMILES SDF Mol2 Flexibase
V1AR_RAT P30560 CHEMBL2868 Vasopressin V1a receptor 433 Annotations Catalogs SMILES SDF Mol2 Flexibase
CASP8_HUMAN Q14790 CHEMBL3776 Caspase-8 431 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC5_HUMAN Q9UQL6 CHEMBL2563 Histone deacetylase 5 429 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2Y12_HUMAN Q9H244 CHEMBL2001 Purinergic receptor P2Y12 429 Annotations Catalogs SMILES SDF Mol2 Flexibase
FKB1A_HUMAN P62942 CHEMBL1902 FK506-binding protein 1A 428 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_BOVIN P20288 CHEMBL3998 Dopamine D2 receptor 425 Annotations Catalogs SMILES SDF Mol2 Flexibase
TYSY_HUMAN P04818 CHEMBL1952 Thymidylate synthase 425 Annotations Catalogs SMILES SDF Mol2 Flexibase
BKRB1_HUMAN P46663 CHEMBL4308 Bradykinin B1 receptor 424 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE2_HUMAN Q13224 CHEMBL1904 Glutamate [NMDA] receptor subunit epsilon 2 424 Annotations Catalogs SMILES SDF Mol2 Flexibase
LKHA4_HUMAN P09960 CHEMBL4618 Leukotriene A4 hydrolase 423 Annotations Catalogs SMILES SDF Mol2 Flexibase
CASP7_HUMAN P55210 CHEMBL3468 Caspase-7 420 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNB1_HUMAN P14635 CHEMBL2412 G2/mitotic-specific cyclin B1 420 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC7_HUMAN Q8WUI4 CHEMBL2716 Histone deacetylase 7 420 Annotations Catalogs SMILES SDF Mol2 Flexibase
V1AR_HUMAN P37288 CHEMBL1889 Vasopressin V1a receptor 420 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNB2_HUMAN O95067 CHEMBL3723 G2/mitotic-specific cyclin B2 419 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC9_HUMAN Q9UKV0 CHEMBL4145 Histone deacetylase 9 418 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDA10_HUMAN Q969S8 CHEMBL5103 Histone deacetylase 10 417 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP14_HUMAN P50281 CHEMBL3869 Matrix metalloproteinase 14 417 Annotations Catalogs SMILES SDF Mol2 Flexibase
ROCK1_HUMAN Q13464 CHEMBL3231 Rho-associated protein kinase 1 416 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADK_HUMAN P55263 CHEMBL3589 Adenosine kinase 414 Annotations Catalogs SMILES SDF Mol2 Flexibase
BRAF_HUMAN P15056 CHEMBL5145 Serine/threonine-protein kinase B-raf 414 Annotations Catalogs SMILES SDF Mol2 Flexibase
CMA1_HUMAN P23946 CHEMBL4068 Chymase 412 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA17_PIG O77636 CHEMBL3332 ADAM17 410 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACACB_HUMAN O00763 CHEMBL4829 Acetyl-CoA carboxylase 2 408 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B_HUMAN P18089 CHEMBL1942 Alpha-2b adrenergic receptor 408 Annotations Catalogs SMILES SDF Mol2 Flexibase
ITAV_HUMAN P06756 CHEMBL3660 Vitronectin receptor alpha 408 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRA_HUMAN P16234 CHEMBL2007 Platelet-derived growth factor receptor alpha 408 Annotations Catalogs SMILES SDF Mol2 Flexibase
DPP8_HUMAN Q6V1X1 CHEMBL4657 Dipeptidyl peptidase VIII 405 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCE_HUMAN Q02156 CHEMBL3582 Protein kinase C epsilon 401 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRY2_HUMAN P07478 CHEMBL3159 Trypsin II 400 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDZ1_HUMAN Q05586 CHEMBL2015 Glutamate (NMDA) receptor subunit zeta 1 399 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK11_HUMAN Q15759 CHEMBL3961 MAP kinase p38 beta 394 Annotations Catalogs SMILES SDF Mol2 Flexibase
AT1A1_HUMAN P05023 CHEMBL1807 Sodium/potassium-transporting ATPase alpha-1 chain 392 Annotations Catalogs SMILES SDF Mol2 Flexibase
AT1A2_HUMAN P50993 CHEMBL2715 Sodium/potassium-transporting ATPase alpha-2 chain 392 Annotations Catalogs SMILES SDF Mol2 Flexibase
AT1A3_HUMAN P13637 CHEMBL4052 Sodium/potassium-transporting ATPase alpha-3 chain 392 Annotations Catalogs SMILES SDF Mol2 Flexibase
AT1A4_HUMAN Q13733 CHEMBL4053 Sodium/potassium-transporting ATPase alpha-4 chain 392 Annotations Catalogs SMILES SDF Mol2 Flexibase
TYSY_MOUSE P07607 CHEMBL3160 Thymidylate synthase 392 Annotations Catalogs SMILES SDF Mol2 Flexibase
C11B2_HUMAN P19099 CHEMBL2722 Cytochrome P450 11B2 391 Annotations Catalogs SMILES SDF Mol2 Flexibase
AT1B1_HUMAN P05026 CHEMBL2379 Sodium/potassium-transporting ATPase beta-1 chain 388 Annotations Catalogs SMILES SDF Mol2 Flexibase
AT1B2_HUMAN P14415 CHEMBL2332 Sodium/potassium-transporting ATPase beta-2 chain 388 Annotations Catalogs SMILES SDF Mol2 Flexibase
AT1B3_HUMAN P54709 CHEMBL3256 Sodium/potassium-transporting ATPase beta-3 chain 388 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA6_HUMAN Q16445 CHEMBL2579 GABA receptor alpha-6 subunit 387 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1B_CHICK P51050 CHEMBL4466 Melatonin receptor 1B 387 Annotations Catalogs SMILES SDF Mol2 Flexibase
3BHS1_HUMAN P14060 CHEMBL1958 3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type I 384 Annotations Catalogs SMILES SDF Mol2 Flexibase
V2R_HUMAN P30518 CHEMBL1790 Vasopressin V2 receptor 384 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCR1_HUMAN P32246 CHEMBL2413 C-C chemokine receptor type 1 382 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPV1_HUMAN Q8NER1 CHEMBL4794 Vanilloid receptor 376 Annotations Catalogs SMILES SDF Mol2 Flexibase
BACE2_HUMAN Q9Y5Z0 CHEMBL2525 Beta secretase 2 374 Annotations Catalogs SMILES SDF Mol2 Flexibase
GASR_MOUSE P56481 CHEMBL2854 Cholecystokinin B receptor 372 Annotations Catalogs SMILES SDF Mol2 Flexibase
V2R_RAT Q00788 CHEMBL3766 Vasopressin V2 receptor 372 Annotations Catalogs SMILES SDF Mol2 Flexibase
F16P1_HUMAN P09467 CHEMBL3975 Fructose-1,6-bisphosphatase 371 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB4_RAT P12392 CHEMBL2658 Neuronal acetylcholine receptor protein beta-4 subunit 370 Annotations Catalogs SMILES SDF Mol2 Flexibase
PK3CD_HUMAN O00329 CHEMBL3130 PI3-kinase p110-delta subunit 369 Annotations Catalogs SMILES SDF Mol2 Flexibase
3BHS2_HUMAN P26439 CHEMBL3670 3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type II 368 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFA_HUMAN P21397 CHEMBL1951 Monoamine oxidase A 368 Annotations Catalogs SMILES SDF Mol2 Flexibase
CALRL_HUMAN Q16602 CHEMBL3798 Calcitonin gene-related peptide type 1 receptor 368 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACH10_RAT Q9JLB5 CHEMBL3461 Neuronal acetylcholine receptor protein alpha-10 subunit 367 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA3_RAT P04757 CHEMBL3818 Neuronal acetylcholine receptor protein alpha-3 subunit 367 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2_HUMAN Q8TDS4 CHEMBL3785 Nicotinic acid receptor 1 365 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1A_CHICK P49285 CHEMBL4555 Melatonin receptor 1A 362 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1C_CHICK P49288 CHEMBL3196 Melatonin receptor 1C 362 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDA11_HUMAN Q96DB2 CHEMBL3310 Histone deacetylase 11 361 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRY1_BOVIN P00760 CHEMBL3769 Trypsin I 361 Annotations Catalogs SMILES SDF Mol2 Flexibase
AKT2_HUMAN P31751 CHEMBL2431 Serine/threonine-protein kinase AKT2 360 Annotations Catalogs SMILES SDF Mol2 Flexibase
OXYR_RAT P70536 CHEMBL3996 Oxytocin receptor 359 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A_HUMAN P46098 CHEMBL1899 Serotonin 3a (5-HT3a) receptor 358 Annotations Catalogs SMILES SDF Mol2 Flexibase
GASR_RAT P30553 CHEMBL3508 Cholecystokinin B receptor 358 Annotations Catalogs SMILES SDF Mol2 Flexibase
PLK1_HUMAN P53350 CHEMBL3024 Serine/threonine-protein kinase PLK1 358 Annotations Catalogs SMILES SDF Mol2 Flexibase
TGFR1_HUMAN P36897 CHEMBL4439 TGF-beta receptor type I 358 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR_PNECA P16184 CHEMBL1926 Dihydrofolate reductase 355 Annotations Catalogs SMILES SDF Mol2 Flexibase
GSK3A_HUMAN P49840 CHEMBL2850 Glycogen synthase kinase-3 alpha 355 Annotations Catalogs SMILES SDF Mol2 Flexibase
PD2R_HUMAN Q13258 CHEMBL4427 Prostanoid DP receptor 353 Annotations Catalogs SMILES SDF Mol2 Flexibase
COLA_CLOPE P43153 CHEMBL2802 Microbial collagenase 352 Annotations Catalogs SMILES SDF Mol2 Flexibase
NRAM_I34A1 P03468 CHEMBL2051 Neuraminidase 352 Annotations Catalogs SMILES SDF Mol2 Flexibase
NR1H4_HUMAN Q96RI1 CHEMBL2047 Bile acid receptor FXR 351 Annotations Catalogs SMILES SDF Mol2 Flexibase
ATS5_HUMAN Q9UNA0 CHEMBL2285 ADAMTS5 350 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNB3_HUMAN Q8WWL7 CHEMBL3606 G2/mitotic-specific cyclin B3 350 Annotations Catalogs SMILES SDF Mol2 Flexibase
PE2R4_HUMAN P35408 CHEMBL1836 Prostanoid EP4 receptor 350 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCG_HUMAN P05129 CHEMBL2938 Protein kinase C gamma 345 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMD3B_HUMAN O60391 CHEMBL2913 Glutamate [NMDA] receptor subunit 3B 345 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE1_HUMAN Q12879 CHEMBL1972 Glutamate [NMDA] receptor subunit epsilon 1 345 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE3_HUMAN Q14957 CHEMBL4109 Glutamate [NMDA] receptor subunit epsilon 3 345 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE4_HUMAN O15399 CHEMBL2591 Glutamate [NMDA] receptor subunit epsilon 4 345 Annotations Catalogs SMILES SDF Mol2 Flexibase
RAF1_HUMAN P04049 CHEMBL1906 Serine/threonine-protein kinase RAF 345 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMD3A_HUMAN Q8TCU5 CHEMBL4787 Glutamate [NMDA] receptor subunit 3A 344 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q4U254_9ENTO Q4U254 CHEMBL2857 Human rhinovirus A protease 341 Annotations Catalogs SMILES SDF Mol2 Flexibase
RXRA_HUMAN P19793 CHEMBL2061 Retinoid X receptor alpha 341 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN9A_HUMAN Q15858 CHEMBL4296 Sodium channel protein type IX alpha subunit 341 Annotations Catalogs