UCSF

ZINC03870494

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 23 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.81 -3.4 -20.63 2 6 0 74 308.341 2
Lo Low (pH 4.5-6) 1.81 -3.76 -44.06 3 6 1 75 309.349 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CCND2-1-E G1/S-specific Cyclin D2 (cluster #1 Of 1), Eukaryotic Eukaryotes 190 0.41 Binding ≤ 10μM
CDK4-2-E Cyclin-dependent Kinase 4 (cluster #2 Of 3), Eukaryotic Eukaryotes 190 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CDK4_HUMAN P11802 Cyclin-dependent Kinase 4, Human 190 0.41 Binding ≤ 1μM
CCND2_HUMAN P30279 G1/S-specific Cyclin D2, Human 190 0.41 Binding ≤ 1μM
CDK4_HUMAN P11802 Cyclin-dependent Kinase 4, Human 190 0.41 Binding ≤ 10μM
CCND2_HUMAN P30279 G1/S-specific Cyclin D2, Human 190 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Cyclin D associated events in G1
Meiotic recombination
Oncogene Induced Senescence
Oxidative Stress Induced Senescence
RMTs methylate histone arginines
Senescence-Associated Secretory Phenotype (SASP)
Transcriptional regulation of white adipocyte differentiation
Ubiquitin-dependent degradation of Cyclin D1

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.