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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

NameCHEMBL3290707
Molecular formulaC25H21N3O3
IUPAC name[4-(1-benzofuran-6-yloxy)pyridin-3-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
Molecular weight411.461
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50019500
Inchi KeyFKSIHABGGOIYDY-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H21N3O3/c29-25(28-13-12-27(18-6-7-18)21-3-1-2-4-22(21)28)20-16-26-11-9-23(20)31-19-8-5-17-10-14-30-24(17)15-19/h1-5,8-11,14-16,18H,6-7,12-13H2
PubChem CID71626556
ChEMBLCHEMBL3290707
IUPHARN/A
BindingDB50019500
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
80797G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330
80798G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329

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