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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL314498
Molecular formulaC15H13N3O
IUPAC name2-benzyl-5-phenyl-4H-1,2,4-triazol-3-one
Molecular weight251.289
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.5
Synonyms1-Benzyl-3-phenyl-1H-1,2,4-triazole-5-ol
SCHEMBL7656600
Inchi KeyCAGAOLNKGNVJBS-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H13N3O/c19-15-16-14(13-9-5-2-6-10-13)17-18(15)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,16,17,19)
PubChem CID135512474
ChEMBLCHEMBL314498
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
37129C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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