UCSF

ZINC29055954

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 24 No

Popular Name: RO-3306 RO-3306

Find On: PubMed — Wikipedia — Google

CAS Number: 872573-93-8

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) 3.30 7.38 -19.09 1 4 0 55 351.456 4 ↓
Hi High (pH 8-9.5) 3.30 6.42 -45.95 0 4 -1 57 350.448 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 318 0.38 Binding ≤ 10μM
Z104296-1-O Cyclin-dependent Kinase 1/cyclin B1 (cluster #1 Of 2), Other Other 35 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104296 Z104296 Cyclin-dependent Kinase 1/cyclin B1 35 0.43 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 318 0.38 Binding ≤ 1μM
Z104296 Z104296 Cyclin-dependent Kinase 1/cyclin B1 35 0.43 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 318 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Apoptotic cleavage of cellular proteins
Calmodulin induced events
DAG and IP3 signaling
Effects of PIP2 hydrolysis
G alpha (z) signalling events
HuR stabilizes mRNA
Interferon gamma signaling
Role of phospholipids in phagocytosis
VEGFR2 mediated cell proliferation

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