UCSF

ZINC04482266

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 18 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) 2.32 8.65 -16.89 0 4 0 56 239.23 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 900 0.47 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 900 0.47 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 900 0.47 Binding ≤ 10μM
KPCT-3-E Protein Kinase C Theta (cluster #3 Of 3), Eukaryotic Eukaryotes 900 0.47 Binding ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 2900 0.43 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 900 0.47 Binding ≤ 1μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 900 0.47 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 900 0.47 Binding ≤ 1μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 900 0.47 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 900 0.47 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 900 0.47 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 900 0.47 Binding ≤ 10μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 900 0.47 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 2900 0.43 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine regulates insulin secretion
Activation of NF-kappaB in B cells
Apoptotic cleavage of cellular proteins
Ca2+ pathway
Calmodulin induced events
DAG and IP3 signaling
Depolymerisation of the Nuclear Lamina
Disinhibition of SNARE formation
Downstream TCR signaling
Effects of PIP2 hydrolysis
EGFR Transactivation by Gastrin
FCERI mediated NF-kB activation
G alpha (z) signalling events
HuR stabilizes mRNA
Inactivation, recovery and regulation of the phototransduction cascade
Interferon gamma signaling
Netrin-1 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% )