UCSF

ZINC36079866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 24 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) 5.24 6.88 -41.01 5 3 1 68 336.54 14
Mid Mid (pH 6-8) 5.24 6.59 -4.23 4 3 0 66 335.532 14

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 3700 0.32 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 3700 0.32 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 3700 0.32 Binding ≤ 10μM
KPCE-5-E Protein Kinase C Epsilon (cluster #5 Of 5), Eukaryotic Eukaryotes 3700 0.32 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 3700 0.32 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 3700 0.32 Binding ≤ 10μM
KPCT-3-E Protein Kinase C Theta (cluster #3 Of 3), Eukaryotic Eukaryotes 3700 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_RAT P05696 Protein Kinase C Alpha, Rat 3700 0.32 Binding ≤ 10μM
KPCB_RAT P68403 Protein Kinase C Beta, Rat 3700 0.32 Binding ≤ 10μM
KPCD_RAT P09215 Protein Kinase C Delta, Rat 3700 0.32 Binding ≤ 10μM
KPCE_RAT P09216 Protein Kinase C Epsilon, Rat 3700 0.32 Binding ≤ 10μM
KPCL_RAT Q64617 Protein Kinase C Eta, Rat 3700 0.32 Binding ≤ 10μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 3700 0.32 Binding ≤ 10μM
KPCT_RAT Q9WTQ0 Protein Kinase C Theta, Rat 3700 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of NF-kappaB in B cells
Calmodulin induced events
Depolymerisation of the Nuclear Lamina
Disinhibition of SNARE formation
Effects of PIP2 hydrolysis
G alpha (z) signalling events
Response to elevated platelet cytosolic Ca2+
Trafficking of GluR2-containing AMPA receptors
VEGFR2 mediated cell proliferation
WNT5A-dependent internalization of FZD4

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