UCSF

ZINC06567211

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 17 Yes

Other Names:

MFCD06202658

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) 4.58 -3.28 -6.56 1 1 0 20 278.423 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-4-E Protein Kinase C Alpha (cluster #4 Of 6), Eukaryotic Eukaryotes 4000 0.44 Binding ≤ 10μM
KPCB-2-E Protein Kinase C Beta (cluster #2 Of 4), Eukaryotic Eukaryotes 4000 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 4000 0.44 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 4000 0.44 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine regulates insulin secretion
Activation of NF-kappaB in B cells
Ca2+ pathway
Calmodulin induced events
Depolymerisation of the Nuclear Lamina
Disinhibition of SNARE formation
EGFR Transactivation by Gastrin
G alpha (z) signalling events
HuR stabilizes mRNA
Inactivation, recovery and regulation of the phototransduction cascade
Regulation of KIT signaling
Response to elevated platelet cytosolic Ca2+
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% )