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Ligand

NameCHEMBL520461
Molecular formulaC29H30N6O2
IUPAC name[(2S)-1-(1-benzylbenzimidazole-2-carbonyl)pyrrolidin-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
Molecular weight494.599
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM50264530
(1-Benzyl-1H-benzoimidazol-2-yl)-[(S)-2-(4-pyridin-4-yl-piperazine-1-carbonyl)-pyrrolidin-1-yl]-methanone
Inchi KeyBNFHYHIGCYLQMP-SANMLTNESA-N
Inchi IDInChI=1S/C29H30N6O2/c36-28(33-19-17-32(18-20-33)23-12-14-30-15-13-23)26-11-6-16-34(26)29(37)27-31-24-9-4-5-10-25(24)35(27)21-22-7-2-1-3-8-22/h1-5,7-10,12-15,26H,6,11,16-21H2/t26-/m0/s1
PubChem CID44579914
ChEMBLCHEMBL520461
IUPHARN/A
BindingDB50264530
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
28054B1 bradykinin receptorQ3BCU0BDKRB1Macaca fascicularis (Crab-eating macaque)352

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