UCSF

ZINC02517049

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) 1.75 -6.41 -11.72 3 5 0 68 301.39 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRP1-1-E RAS Guanyl Releasing Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.54 Binding ≤ 10μM
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 4000 0.34 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 6 0.52 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 80 0.45 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 8 0.52 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 89 0.45 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 6 0.52 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 9 0.51 Binding ≤ 10μM
Z80156-2-O HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other Other 5 0.53 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 10.96 0.51 Binding ≤ 1μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 135.6 0.44 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 11 0.51 Binding ≤ 1μM
KPCD_MOUSE P28867 Protein Kinase C Delta, Mouse 10.9 0.51 Binding ≤ 1μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 21.9 0.49 Binding ≤ 1μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 5.5 0.53 Binding ≤ 1μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 137.9 0.44 Binding ≤ 1μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 8.7 0.51 Binding ≤ 1μM
GRP1_RAT Q9R1K8 RAS Guanyl Releasing Protein 1, Rat 2.54 0.55 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 10.96 0.51 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 135.6 0.44 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 11 0.51 Binding ≤ 10μM
KPCD_MOUSE P28867 Protein Kinase C Delta, Mouse 10.9 0.51 Binding ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 21.9 0.49 Binding ≤ 10μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 3770 0.35 Binding ≤ 10μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 137.9 0.44 Binding ≤ 10μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 8.7 0.51 Binding ≤ 10μM
GRP1_RAT Q9R1K8 RAS Guanyl Releasing Protein 1, Rat 2.54 0.55 Binding ≤ 10μM
Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 5 0.53 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine regulates insulin secretion
Activation of NF-kappaB in B cells
Activation of RAS 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
Downstream TCR signaling
Effects of PIP2 hydrolysis
EGFR Transactivation by Gastrin
FCERI mediated NF-kB activation
G alpha (z) signalling events
HuR stabilizes mRNA
Inactivation, recovery and regulation of the phototransduction cascade
Integrin alphaIIb beta3 signaling
Interferon gamma signaling
Netrin-1 signaling
Rap1 signalling
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% )