UCSF

ZINC36079847

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) 5.69 12 -8.79 1 5 0 73 344.492 18

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 5000 0.31 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 5000 0.31 Binding ≤ 10μM
KPCD-2-E Protein Kinase C Delta (cluster #2 Of 4), Eukaryotic Eukaryotes 5000 0.31 Binding ≤ 10μM
KPCE-2-E Protein Kinase C Epsilon (cluster #2 Of 5), Eukaryotic Eukaryotes 8190 0.30 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 2930 0.32 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 5000 0.31 Binding ≤ 10μM
KPCL-1-E Protein Kinase C Eta (cluster #1 Of 4), Eukaryotic Eukaryotes 15 0.46 Binding ≤ 10μM
KPCL-1-E Protein Kinase C Eta (cluster #1 Of 4), Eukaryotic Eukaryotes 5000 0.31 Binding ≤ 10μM
KPCT-2-E Protein Kinase C Theta (cluster #2 Of 3), Eukaryotic Eukaryotes 5240 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 33 0.44 Binding ≤ 1μM
KPCA_BOVIN P04409 Protein Kinase C Alpha, Bovin 33 0.44 Binding ≤ 1μM
KPCL_MOUSE P23298 Protein Kinase C Eta, Mouse 14.5 0.46 Binding ≤ 1μM
KPCA_MOUSE P20444 Protein Kinase C Alpha, Mouse 5000 0.31 Binding ≤ 10μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 33 0.44 Binding ≤ 10μM
KPCA_BOVIN P04409 Protein Kinase C Alpha, Bovin 33 0.44 Binding ≤ 10μM
KPCB_MOUSE P68404 Protein Kinase C Beta, Mouse 5000 0.31 Binding ≤ 10μM
KPCD_MOUSE P28867 Protein Kinase C Delta, Mouse 5000 0.31 Binding ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 8190 0.30 Binding ≤ 10μM
KPCL_MOUSE P23298 Protein Kinase C Eta, Mouse 14.5 0.46 Binding ≤ 10μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 2930 0.32 Binding ≤ 10μM
KPCG_MOUSE P63318 Protein Kinase C Gamma, Mouse 5000 0.31 Binding ≤ 10μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 5240 0.31 Binding ≤ 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% )