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Ligand

NameBDBM50437882
Molecular formulaC23H22N2O3
IUPAC name4-[1-(2-methylphenyl)-3-(2-methylpyridin-4-yl)-3-nitrosopropyl]benzoic acid
Molecular weight374.44
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
SynonymsN/A
Inchi KeyGMZJHGZSQIVJEK-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22N2O3/c1-15-5-3-4-6-20(15)21(17-7-9-18(10-8-17)23(26)27)14-22(25-28)19-11-12-24-16(2)13-19/h3-13,21-22H,14H2,1-2H3,(H,26,27)
PubChem CID91898729
ChEMBLN/A
IUPHARN/A
BindingDB50437882
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
100374G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329
100375G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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