UCSF

ZINC03915682

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2005 28 No

CAS Number: 60857-08-1

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) 2.14 -2.06 -11.69 3 6 0 104 390.476 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-3-E Protein Kinase C Alpha (cluster #3 Of 6), Eukaryotic Eukaryotes 13 0.39 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 13 0.39 Binding ≤ 10μM
KPCD-2-E Protein Kinase C Delta (cluster #2 Of 4), Eukaryotic Eukaryotes 210 0.33 Binding ≤ 10μM
KPCD1-3-E Protein Kinase C Mu (cluster #3 Of 3), Eukaryotic Eukaryotes 210 0.33 Binding ≤ 10μM
KPCD3-3-E Protein Kinase C Nu (cluster #3 Of 3), Eukaryotic Eukaryotes 210 0.33 Binding ≤ 10μM
KPCE-2-E Protein Kinase C Epsilon (cluster #2 Of 5), Eukaryotic Eukaryotes 210 0.33 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 13 0.39 Binding ≤ 10μM
KPCL-1-E Protein Kinase C Eta (cluster #1 Of 4), Eukaryotic Eukaryotes 210 0.33 Binding ≤ 10μM
KPCT-2-E Protein Kinase C Theta (cluster #2 Of 3), Eukaryotic Eukaryotes 210 0.33 Binding ≤ 10μM
Z50607-8-O Human Immunodeficiency Virus 1 (cluster #8 Of 10), Other Other 132 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_MOUSE P20444 Protein Kinase C Alpha, Mouse 12.5 0.40 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 190 0.34 Binding ≤ 1μM
KPCA_BOVIN P04409 Protein Kinase C Alpha, Bovin 4.8 0.42 Binding ≤ 1μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 190 0.34 Binding ≤ 1μM
KPCB_MOUSE P68404 Protein Kinase C Beta, Mouse 12.5 0.40 Binding ≤ 1μM
KPCD_MOUSE P28867 Protein Kinase C Delta, Mouse 12.5 0.40 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 190 0.34 Binding ≤ 1μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 190 0.34 Binding ≤ 1μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 190 0.34 Binding ≤ 1μM
KPCL_MOUSE P23298 Protein Kinase C Eta, Mouse 12.5 0.40 Binding ≤ 1μM
KPCG_MOUSE P63318 Protein Kinase C Gamma, Mouse 12.5 0.40 Binding ≤ 1μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 190 0.34 Binding ≤ 1μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 190 0.34 Binding ≤ 1μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 190 0.34 Binding ≤ 1μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 190 0.34 Binding ≤ 1μM
KPCA_BOVIN P04409 Protein Kinase C Alpha, Bovin 4.8 0.42 Binding ≤ 10μM
KPCA_MOUSE P20444 Protein Kinase C Alpha, Mouse 12.5 0.40 Binding ≤ 10μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 190 0.34 Binding ≤ 10μM
KPCB_MOUSE P68404 Protein Kinase C Beta, Mouse 12.5 0.40 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 190 0.34 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 190 0.34 Binding ≤ 10μM
KPCD_MOUSE P28867 Protein Kinase C Delta, Mouse 12.5 0.40 Binding ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 190 0.34 Binding ≤ 10μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 190 0.34 Binding ≤ 10μM
KPCL_MOUSE P23298 Protein Kinase C Eta, Mouse 12.5 0.40 Binding ≤ 10μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 190 0.34 Binding ≤ 10μM
KPCG_MOUSE P63318 Protein Kinase C Gamma, Mouse 12.5 0.40 Binding ≤ 10μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 190 0.34 Binding ≤ 10μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 190 0.34 Binding ≤ 10μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 190 0.34 Binding ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 0.1 0.50 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
Sphingolipid de novo biosynthesis
Syndecan interactions
Trafficking of GluR2-containing AMPA receptors
VEGFR2 mediated cell proliferation
WNT5A-dependent internalization of FZD4

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