UCSF

ZINC00591953

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 34 No

Popular Name: Ro-32-0432 Ro-32-0432

Find On: PubMed — Wikipedia — Google

CAS Number: 151342-35-7

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) 4.55 13.61 -50.72 2 6 1 64 453.566 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSK3B-1-E Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic Eukaryotes 20 0.32 Binding ≤ 10μM
KAPCA-1-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic Eukaryotes 5900 0.22 Binding ≤ 10μM
KAPCB-1-E CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 5900 0.22 Binding ≤ 10μM
KAPCG-1-E CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 5900 0.22 Binding ≤ 10μM
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 22 0.32 Binding ≤ 10μM
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 45 0.30 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 31 0.31 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 42 0.30 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 17 0.32 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 45 0.30 Binding ≤ 10μM
KPCD1-1-E Protein Kinase C Mu (cluster #1 Of 3), Eukaryotic Eukaryotes 17 0.32 Binding ≤ 10μM
KPCD1-1-E Protein Kinase C Mu (cluster #1 Of 3), Eukaryotic Eukaryotes 45 0.30 Binding ≤ 10μM
KPCD3-1-E Protein Kinase C Nu (cluster #1 Of 3), Eukaryotic Eukaryotes 17 0.32 Binding ≤ 10μM
KPCD3-1-E Protein Kinase C Nu (cluster #1 Of 3), Eukaryotic Eukaryotes 45 0.30 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 17 0.32 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 45 0.30 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 37 0.31 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 42 0.30 Binding ≤ 10μM
KPCI-1-E Protein Kinase C Iota (cluster #1 Of 3), Eukaryotic Eukaryotes 17 0.32 Binding ≤ 10μM
KPCI-1-E Protein Kinase C Iota (cluster #1 Of 3), Eukaryotic Eukaryotes 45 0.30 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 21 0.32 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 42 0.30 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 21 0.32 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 42 0.30 Binding ≤ 10μM
KPCZ-1-E Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic Eukaryotes 17 0.32 Binding ≤ 10μM
KPCZ-1-E Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic Eukaryotes 32 0.31 Binding ≤ 10μM
PHKG1-1-E Phosphorylase Kinase Gamma Subunit 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1100 0.25 Binding ≤ 10μM
PHKG2-1-E Phosphorylase Kinase Gamma Subunit 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 1100 0.25 Binding ≤ 10μM
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.23 Functional ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.23 Functional ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.23 Functional ≤ 10μM
KPCD1-1-E Protein Kinase C Mu (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.23 Functional ≤ 10μM
KPCD3-1-E Protein Kinase C Nu (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.23 Functional ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.23 Functional ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.23 Functional ≤ 10μM
KPCL-1-E Protein Kinase C Eta (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.23 Functional ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.23 Functional ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 950 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GSK3B_HUMAN P49841 Glycogen Synthase Kinase-3 Beta, Human 20 0.32 Binding ≤ 1μM
KPCA_RAT P05696 Protein Kinase C Alpha, Rat 42 0.30 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 32 0.31 Binding ≤ 1μM
KPCB_RAT P68403 Protein Kinase C Beta, Rat 42 0.30 Binding ≤ 1μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 32 0.31 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 32 0.31 Binding ≤ 1μM
KPCD_RAT P09215 Protein Kinase C Delta, Rat 42 0.30 Binding ≤ 1μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 32 0.31 Binding ≤ 1μM
KPCE_RAT P09216 Protein Kinase C Epsilon, Rat 42 0.30 Binding ≤ 1μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 32 0.31 Binding ≤ 1μM
KPCL_RAT Q64617 Protein Kinase C Eta, Rat 42 0.30 Binding ≤ 1μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 32 0.31 Binding ≤ 1μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 42 0.30 Binding ≤ 1μM
KPCI_HUMAN P41743 Protein Kinase C Iota, Human 45 0.30 Binding ≤ 1μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 32 0.31 Binding ≤ 1μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 45 0.30 Binding ≤ 1μM
KPCT_RAT Q9WTQ0 Protein Kinase C Theta, Rat 42 0.30 Binding ≤ 1μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 45 0.30 Binding ≤ 1μM
KPCZ_RAT P09217 Protein Kinase C Zeta, Rat 42 0.30 Binding ≤ 1μM
KPCZ_HUMAN Q05513 Protein Kinase C Zeta, Human 32 0.31 Binding ≤ 1μM
KAPCA_BOVIN P00517 CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Bovin 8600 0.21 Binding ≤ 10μM
KAPCA_HUMAN P17612 CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Human 5900 0.22 Binding ≤ 10μM
KAPCB_BOVIN P05131 CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Bovin 8600 0.21 Binding ≤ 10μM
KAPCB_HUMAN P22694 CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Human 5900 0.22 Binding ≤ 10μM
KAPCG_HUMAN P22612 CAMP-dependent Protein Kinase, Gamma Catalytic Subunit, Human 5900 0.22 Binding ≤ 10μM
GSK3B_HUMAN P49841 Glycogen Synthase Kinase-3 Beta, Human 20 0.32 Binding ≤ 10μM
PHKG1_HUMAN Q16816 Phosphorylase Kinase Gamma Subunit 1, Human 1100 0.25 Binding ≤ 10μM
PHKG2_HUMAN P15735 Phosphorylase Kinase Gamma Subunit 2, Human 1100 0.25 Binding ≤ 10μM
KPCA_RAT P05696 Protein Kinase C Alpha, Rat 42 0.30 Binding ≤ 10μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 32 0.31 Binding ≤ 10μM
KPCB_RAT P68403 Protein Kinase C Beta, Rat 42 0.30 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 32 0.31 Binding ≤ 10μM
KPCD_RAT P09215 Protein Kinase C Delta, Rat 42 0.30 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 32 0.31 Binding ≤ 10μM
KPCE_RAT P09216 Protein Kinase C Epsilon, Rat 42 0.30 Binding ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 32 0.31 Binding ≤ 10μM
KPCL_RAT Q64617 Protein Kinase C Eta, Rat 42 0.30 Binding ≤ 10μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 32 0.31 Binding ≤ 10μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 42 0.30 Binding ≤ 10μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 32 0.31 Binding ≤ 10μM
KPCI_HUMAN P41743 Protein Kinase C Iota, Human 45 0.30 Binding ≤ 10μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 32 0.31 Binding ≤ 10μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 45 0.30 Binding ≤ 10μM
KPCT_RAT Q9WTQ0 Protein Kinase C Theta, Rat 42 0.30 Binding ≤ 10μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 45 0.30 Binding ≤ 10μM
KPCZ_RAT P09217 Protein Kinase C Zeta, Rat 42 0.30 Binding ≤ 10μM
KPCZ_HUMAN Q05513 Protein Kinase C Zeta, Human 32 0.31 Binding ≤ 10μM
Z50587 Z50587 Homo Sapiens 950 0.25 Functional ≤ 10μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 2000 0.23 Functional ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 2000 0.23 Functional ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 2000 0.23 Functional ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 2000 0.23 Functional ≤ 10μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 2000 0.23 Functional ≤ 10μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 2000 0.23 Functional ≤ 10μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 2000 0.23 Functional ≤ 10μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 2000 0.23 Functional ≤ 10μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 2000 0.23 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine regulates insulin secretion
Activation of NF-kappaB in B cells
AKT phosphorylates targets in the cytosol
APC truncation mutants have impaired AXIN binding
Apoptotic cleavage of cellular proteins
AXIN missense mutants destabilize the destruction complex
Beta-catenin phosphorylation cascade
Ca2+ pathway
Calmodulin induced events
Constitutive PI3K/AKT Signaling in Cancer
CREB phosphorylation through the activation of Adenylate Cyclase
CRMPs in Sema3A signaling
DAG and IP3 signaling
DARPP-32 events
Degradation of beta-catenin by the destruction complex
Depolymerisation of the Nuclear Lamina
disassembly of the destruction complex and recruitment of AXIN to the membrane
Disinhibition of SNARE formation
Downstream TCR signaling
Effects of PIP2 hydrolysis
EGFR Transactivation by Gastrin
Factors involved in megakaryocyte development and platelet production
FCERI mediated NF-kB activation
G alpha (z) signalling events
Glucagon-like Peptide-1 (GLP1) regulates insulin secretion
Gluconeogenesis
Glycogen breakdown (glycogenolysis)
GPVI-mediated activation cascade
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
misspliced GSK3beta mutants stabilize beta-catenin
Netrin-1 signaling
p75NTR recruits signalling complexes
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 HSF1-mediated heat shock response
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
S33 mutants of beta-catenin aren't phosphorylated
S37 mutants of beta-catenin aren't phosphorylated
S45 mutants of beta-catenin aren't phosphorylated
Signaling by SCF-KIT
Sphingolipid de novo biosynthesis
Syndecan interactions
T41 mutants of beta-catenin aren't phosphorylated
TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition)
Tight junction interactions
Trafficking of GluR2-containing AMPA receptors
truncations of AMER1 destabilize the destruction complex
Vasopressin regulates renal water homeostasis via Aquaporins
VEGFA-VEGFR2 Pathway
VEGFR2 mediated cell proliferation
WNT5A-dependent internalization of FZD4

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