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Ligand

NameBDBM50437876
Molecular formulaC28H31N3O3
IUPAC name1-[4-[(1S)-1-(2-methylphenyl)-3-(2-methylpyridin-4-yl)-3-nitrosopropyl]phenyl]piperidine-4-carboxylic acid
Molecular weight457.574
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.9
SynonymsN/A
Inchi KeyNJCCHNXUSBDCQP-QBHOUYDASA-N
Inchi IDInChI=1S/C28H31N3O3/c1-19-5-3-4-6-25(19)26(18-27(30-34)23-11-14-29-20(2)17-23)21-7-9-24(10-8-21)31-15-12-22(13-16-31)28(32)33/h3-11,14,17,22,26-27H,12-13,15-16,18H2,1-2H3,(H,32,33)/t26-,27?/m0/s1
PubChem CID91898723
ChEMBLN/A
IUPHARN/A
BindingDB50437876
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
224615G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329
224616G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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