UCSF

ZINC29569850

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 30 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) 3.60 10.95 -19.07 1 5 0 63 392.462 3

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 6300 0.24 Binding ≤ 10μM
KGP1-1-E CGMP-dependent Protein Kinase 1 Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 1300 0.27 Binding ≤ 10μM
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 27 0.35 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 27 0.35 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 27 0.35 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 27 0.35 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 27 0.35 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 27 0.35 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 27 0.35 Binding ≤ 10μM
KPCZ-1-E Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic Eukaryotes 27 0.35 Binding ≤ 10μM
MYLK-1-E Myosin Light Chain Kinase, Smooth Muscle (cluster #1 Of 1), Eukaryotic Eukaryotes 1600 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_RAT P05696 Protein Kinase C Alpha, Rat 27 0.35 Binding ≤ 1μM
KPCB_RAT P68403 Protein Kinase C Beta, Rat 27 0.35 Binding ≤ 1μM
KPCD_RAT P09215 Protein Kinase C Delta, Rat 27 0.35 Binding ≤ 1μM
KPCE_RAT P09216 Protein Kinase C Epsilon, Rat 27 0.35 Binding ≤ 1μM
KPCL_RAT Q64617 Protein Kinase C Eta, Rat 27 0.35 Binding ≤ 1μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 27 0.35 Binding ≤ 1μM
KPCT_RAT Q9WTQ0 Protein Kinase C Theta, Rat 27 0.35 Binding ≤ 1μM
KPCZ_RAT P09217 Protein Kinase C Zeta, Rat 27 0.35 Binding ≤ 1μM
KAPCA_BOVIN P00517 CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Bovin 6300 0.24 Binding ≤ 10μM
KGP1_BOVIN P00516 CGMP-dependent Protein Kinase 1 Alpha, Bovin 1300 0.27 Binding ≤ 10μM
MYLK_CHICK P11799 Myosin Light Chain Kinase, Smooth Muscle, Chick 1600 0.27 Binding ≤ 10μM
KPCA_RAT P05696 Protein Kinase C Alpha, Rat 27 0.35 Binding ≤ 10μM
KPCB_RAT P68403 Protein Kinase C Beta, Rat 27 0.35 Binding ≤ 10μM
KPCD_RAT P09215 Protein Kinase C Delta, Rat 27 0.35 Binding ≤ 10μM
KPCE_RAT P09216 Protein Kinase C Epsilon, Rat 27 0.35 Binding ≤ 10μM
KPCL_RAT Q64617 Protein Kinase C Eta, Rat 27 0.35 Binding ≤ 10μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 27 0.35 Binding ≤ 10μM
KPCT_RAT Q9WTQ0 Protein Kinase C Theta, Rat 27 0.35 Binding ≤ 10μM
KPCZ_RAT P09217 Protein Kinase C Zeta, Rat 27 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of NF-kappaB in B cells
Calmodulin induced events
cGMP effects
DARPP-32 events
Depolymerisation of the Nuclear Lamina
Disinhibition of SNARE formation
Effects of PIP2 hydrolysis
Factors involved in megakaryocyte development and platelet production
G alpha (z) signalling events
Glucagon-like Peptide-1 (GLP1) regulates insulin secretion
Gluconeogenesis
GPVI-mediated activation cascade
Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis
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+
TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition)
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% )