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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

NameCHEMBL489376
Molecular formulaC24H23N5O
IUPAC name(1-benzylbenzimidazol-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
Molecular weight397.482
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM50264266
(1-benzyl-1H-benzo[d]imidazol-2-yl)(4-(pyridin-4-yl)piperazin-1-yl)methanone
Inchi KeyZBNIJXJQGOXMPG-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23N5O/c30-24(28-16-14-27(15-17-28)20-10-12-25-13-11-20)23-26-21-8-4-5-9-22(21)29(23)18-19-6-2-1-3-7-19/h1-13H,14-18H2
PubChem CID44579764
ChEMBLCHEMBL489376
IUPHARN/A
BindingDB50264266
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
424463B1 bradykinin receptorQ3BCU0BDKRB1Macaca fascicularis (Crab-eating macaque)352

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