UCSF

ZINC13672589

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 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) 6.42 11.8 -17.5 1 4 0 56 398.609 11

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 24 0.40 Binding ≤ 10μM
KPCD-2-E Protein Kinase C Delta (cluster #2 Of 4), Eukaryotic Eukaryotes 3 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 23.7 0.40 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 173.4 0.35 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 23.7 0.40 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 173.4 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine regulates insulin secretion
Apoptotic cleavage of cellular proteins
Ca2+ pathway
Calmodulin induced events
DAG and IP3 signaling
Depolymerisation of the Nuclear Lamina
Disinhibition of SNARE formation
Effects of PIP2 hydrolysis
EGFR Transactivation by Gastrin
G alpha (z) signalling events
HuR stabilizes mRNA
Inactivation, recovery and regulation of the phototransduction cascade
Interferon gamma signaling
Regulation of KIT signaling
Response to elevated platelet cytosolic Ca2+
Role of phospholipids in phagocytosis
Signaling by SCF-KIT
Syndecan interactions
Trafficking of GluR2-containing AMPA receptors
VEGFR2 mediated cell proliferation
WNT5A-dependent internalization of FZD4

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

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