UCSF

ZINC34800376

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 44 No

Popular Name: [(1S)-1-(hydroxymethyl)-2-[(E)-octadec-9-enoyl]oxy-ethyl] [(1S)-1-(hydroxymethyl)-2-[(E)-o…

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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) 10.06 27.29 -8.96 1 5 0 73 621 36 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-2-E Protein Kinase C Alpha (cluster #2 Of 6), Eukaryotic Eukaryotes 87 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 87.2 0.22 Binding ≤ 1μM
KPCA_BOVIN P04409 Protein Kinase C Alpha, Bovin 87.2 0.22 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 87.2 0.22 Binding ≤ 10μM
KPCA_BOVIN P04409 Protein Kinase C Alpha, Bovin 87.2 0.22 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine regulates insulin secretion
Ca2+ pathway
Calmodulin induced events
Depolymerisation of the Nuclear Lamina
Disinhibition of SNARE formation
EGFR Transactivation by Gastrin
G alpha (z) signalling events
HuR stabilizes mRNA
Inactivation, recovery and regulation of the phototransduction cascade
Regulation of KIT signaling
Response to elevated platelet cytosolic Ca2+
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% )