UCSF

ZINC40866390

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 28 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) 4.98 12.62 -12.04 1 3 0 36 366.464 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CDK4-2-E Cyclin-dependent Kinase 4 (cluster #2 Of 3), Eukaryotic Eukaryotes 9000 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CDK4_HUMAN P11802 Cyclin-dependent Kinase 4, Human 9000 0.25 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% )