UCSF

ZINC13861124

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 33 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) 4.31 11.53 -66.23 3 6 1 76 439.539 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KAPCA-1-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic Eukaryotes 4800 0.23 Binding ≤ 10μM
KAPCB-1-E CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 4800 0.23 Binding ≤ 10μM
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 10 0.34 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 10 0.34 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 10 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_RAT P05696 Protein Kinase C Alpha, Rat 9.8 0.34 Binding ≤ 1μM
KPCB_RAT P68403 Protein Kinase C Beta, Rat 9.8 0.34 Binding ≤ 1μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 9.8 0.34 Binding ≤ 1μM
KAPCA_BOVIN P00517 CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Bovin 4800 0.23 Binding ≤ 10μM
KAPCB_BOVIN P05131 CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Bovin 4800 0.23 Binding ≤ 10μM
KPCA_RAT P05696 Protein Kinase C Alpha, Rat 9.8 0.34 Binding ≤ 10μM
KPCB_RAT P68403 Protein Kinase C Beta, Rat 9.8 0.34 Binding ≤ 10μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 9.8 0.34 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of NF-kappaB in B cells
Calmodulin induced events
CREB phosphorylation through the activation of Adenylate Cyclase
DARPP-32 events
Depolymerisation of the Nuclear Lamina
Disinhibition of SNARE formation
Factors involved in megakaryocyte development and platelet production
G alpha (z) signalling events
Glucagon-like Peptide-1 (GLP1) regulates insulin secretion
Gluconeogenesis
Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis
Interleukin-3, 5 and GM-CSF signaling
Loss of Nlp from mitotic centrosomes
Loss of proteins required for interphase microtubule organization from the ce
PKA activation
PKA activation in glucagon signalling
PKA-mediated phosphorylation of CREB
PKA-mediated phosphorylation of key metabolic factors
Rap1 signalling
Recruitment of mitotic centrosome proteins and complexes
Regulation of insulin secretion
Regulation of PLK1 Activity at G2/M Transition
Response to elevated platelet cytosolic Ca2+
Trafficking of GluR2-containing AMPA receptors
Vasopressin regulates renal water homeostasis via Aquaporins
VEGFR2 mediated cell proliferation
WNT5A-dependent internalization of FZD4

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