UCSF

ZINC13604309

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 38 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) 3.58 9.84 -17.14 1 8 0 82 510.594 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KAP2-1-E CAMP-dependent Protein Kinase Type II-alpha Regulatory Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 3500 0.20 Binding ≤ 10μM
KAPCA-1-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic Eukaryotes 3500 0.20 Binding ≤ 10μM
KAPCB-1-E CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 3500 0.20 Binding ≤ 10μM
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 3500 0.20 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 49 0.27 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 2000 0.21 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 2500 0.21 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 1700 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 38 0.27 Binding ≤ 1μM
KAPCA_BOVIN P00517 CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Bovin 3500 0.20 Binding ≤ 10μM
KAPCB_BOVIN P05131 CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Bovin 3500 0.20 Binding ≤ 10μM
KAP2_BOVIN P00515 CAMP-dependent Protein Kinase Type II-alpha Regulatory Subunit, Bovin 3500 0.20 Binding ≤ 10μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 3500 0.20 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 38 0.27 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 2000 0.21 Binding ≤ 10μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 1700 0.21 Binding ≤ 10μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 2500 0.21 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
CREB phosphorylation through the activation of Adenylate Cyclase
DAG and IP3 signaling
DARPP-32 events
Depolymerisation of the Nuclear Lamina
Disinhibition of SNARE formation
Effects of PIP2 hydrolysis
EGFR Transactivation by Gastrin
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
HuR stabilizes mRNA
Inactivation, recovery and regulation of the phototransduction cascade
Interferon gamma signaling
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 KIT signaling
Regulation of PLK1 Activity at G2/M Transition
Response to elevated platelet cytosolic Ca2+
Role of phospholipids in phagocytosis
Signaling by SCF-KIT
Syndecan interactions
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% )