UCSF

ZINC13447673

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 34 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) 2.81 5.97 -55.14 2 8 -1 109 452.446 1

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 38 0.31 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 38 0.31 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 38 0.31 Binding ≤ 10μM
KPCD1-3-E Protein Kinase C Mu (cluster #3 Of 3), Eukaryotic Eukaryotes 38 0.31 Binding ≤ 10μM
KPCD3-3-E Protein Kinase C Nu (cluster #3 Of 3), Eukaryotic Eukaryotes 38 0.31 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 38 0.31 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 38 0.31 Binding ≤ 10μM
KPCI-2-E Protein Kinase C Iota (cluster #2 Of 3), Eukaryotic Eukaryotes 38 0.31 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 38 0.31 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 38 0.31 Binding ≤ 10μM
KPCZ-1-E Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic Eukaryotes 38 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 38 0.31 Binding ≤ 1μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 38 0.31 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 38 0.31 Binding ≤ 1μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 38 0.31 Binding ≤ 1μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 38 0.31 Binding ≤ 1μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 38 0.31 Binding ≤ 1μM
KPCI_HUMAN P41743 Protein Kinase C Iota, Human 38 0.31 Binding ≤ 1μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 38 0.31 Binding ≤ 1μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 38 0.31 Binding ≤ 1μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 38 0.31 Binding ≤ 1μM
KPCZ_HUMAN Q05513 Protein Kinase C Zeta, Human 38 0.31 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 38 0.31 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 38 0.31 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 38 0.31 Binding ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 38 0.31 Binding ≤ 10μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 38 0.31 Binding ≤ 10μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 38 0.31 Binding ≤ 10μM
KPCI_HUMAN P41743 Protein Kinase C Iota, Human 38 0.31 Binding ≤ 10μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 38 0.31 Binding ≤ 10μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 38 0.31 Binding ≤ 10μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 38 0.31 Binding ≤ 10μM
KPCZ_HUMAN Q05513 Protein Kinase C Zeta, Human 38 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
GPVI-mediated activation cascade
HuR stabilizes mRNA
Inactivation, recovery and regulation of the phototransduction cascade
Interferon gamma signaling
Netrin-1 signaling
p75NTR recruits signalling complexes
Regulation of KIT signaling
Response to elevated platelet cytosolic Ca2+
Role of phospholipids in phagocytosis
Signaling by SCF-KIT
Sphingolipid de novo biosynthesis
Syndecan interactions
TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition)
Tight junction interactions
Trafficking of GluR2-containing AMPA receptors
VEGFR2 mediated cell proliferation
WNT5A-dependent internalization of FZD4

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