UCSF

ZINC34799944

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 25 No

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) 5.66 11.21 -10.72 1 5 0 73 356.503 15

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-2-E Protein Kinase C Alpha (cluster #2 Of 6), Eukaryotic Eukaryotes 2800 0.31 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 2800 0.31 Binding ≤ 10μM
KPCD-2-E Protein Kinase C Delta (cluster #2 Of 4), Eukaryotic Eukaryotes 2800 0.31 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 2800 0.31 Binding ≤ 10μM
KPCL-1-E Protein Kinase C Eta (cluster #1 Of 4), Eukaryotic Eukaryotes 2800 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_MOUSE P20444 Protein Kinase C Alpha, Mouse 2800 0.31 Binding ≤ 10μM
KPCB_MOUSE P68404 Protein Kinase C Beta, Mouse 2800 0.31 Binding ≤ 10μM
KPCD_MOUSE P28867 Protein Kinase C Delta, Mouse 2800 0.31 Binding ≤ 10μM
KPCL_MOUSE P23298 Protein Kinase C Eta, Mouse 2800 0.31 Binding ≤ 10μM
KPCG_MOUSE P63318 Protein Kinase C Gamma, Mouse 2800 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of NF-kappaB in B cells
Apoptotic cleavage of cellular proteins
Calmodulin induced events
DAG and IP3 signaling
Depolymerisation of the Nuclear Lamina
Disinhibition of SNARE formation
Effects of PIP2 hydrolysis
G alpha (z) signalling events
HuR stabilizes mRNA
Interferon gamma signaling
Response to elevated platelet cytosolic Ca2+
Role of phospholipids in phagocytosis
Trafficking of GluR2-containing AMPA receptors
VEGFR2 mediated cell proliferation
WNT5A-dependent internalization of FZD4

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