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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

NameBDBM50437874
Molecular formulaC29H26N2O4
IUPAC name4-[4-[(1S)-3-(1-methyl-6-oxopyridin-3-yl)-1-(2-methylphenyl)-3-nitrosopropyl]phenyl]benzoic acid
Molecular weight466.537
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
SynonymsN/A
Inchi KeyANOSMWHBNFJLHV-QBHOUYDASA-N
Inchi IDInChI=1S/C29H26N2O4/c1-19-5-3-4-6-25(19)26(17-27(30-35)24-15-16-28(32)31(2)18-24)22-11-7-20(8-12-22)21-9-13-23(14-10-21)29(33)34/h3-16,18,26-27H,17H2,1-2H3,(H,33,34)/t26-,27?/m0/s1
PubChem CID91898721
ChEMBLN/A
IUPHARN/A
BindingDB50437874
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
9743G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329
9744G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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