UCSF

ZINC26147766

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 40 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) 2.03 1.11 -159.21 7 12 -1 216 548.528 7
Hi High (pH 8-9.5) 2.03 2.31 -232.97 6 12 -2 219 547.52 7
Mid Mid (pH 6-8) 2.03 0.32 -116.18 8 12 0 213 549.536 7

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 3200 0.19 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 630 0.22 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 220 0.23 Binding ≤ 10μM
KPCE-5-E Protein Kinase C Epsilon (cluster #5 Of 5), Eukaryotic Eukaryotes 670 0.22 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 420 0.22 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 50 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 630 0.22 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 220 0.23 Binding ≤ 1μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 670 0.22 Binding ≤ 1μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 50 0.26 Binding ≤ 1μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 420 0.22 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 3200 0.19 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 1200 0.21 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 220 0.23 Binding ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 670 0.22 Binding ≤ 10μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 50 0.26 Binding ≤ 10μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 420 0.22 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
Effects of PIP2 hydrolysis
EGFR Transactivation by Gastrin
G alpha (z) signalling events
HuR stabilizes mRNA
Inactivation, recovery and regulation of the phototransduction cascade
Interferon gamma 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% )

No pre-computed analogs available. Try a structural similarity search.