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Ligand

NameBDBM50437879
Molecular formulaC29H26N2O3
IUPAC name4-[4-[(1R)-1-(2-methylphenyl)-3-(2-methylpyridin-4-yl)-3-nitrosopropyl]phenyl]benzoic acid
Molecular weight450.538
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.9
SynonymsN/A
Inchi KeyGEMWXWUPINNETM-QXPUDEPPSA-N
Inchi IDInChI=1S/C29H26N2O3/c1-19-5-3-4-6-26(19)27(18-28(31-34)25-15-16-30-20(2)17-25)23-11-7-21(8-12-23)22-9-13-24(14-10-22)29(32)33/h3-17,27-28H,18H2,1-2H3,(H,32,33)/t27-,28?/m1/s1
PubChem CID91898726
ChEMBLN/A
IUPHARN/A
BindingDB50437879
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
94502G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330
94503G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329

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