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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

NameCHEMBL2181256
Molecular formulaC22H18Cl2N4O2
IUPAC name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)pyrimidin-5-yl]methanone
Molecular weight441.312
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50399955
Inchi KeyBSHORRBKTIOXHU-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H18Cl2N4O2/c23-14-5-8-17(24)20(11-14)30-21-16(12-25-13-26-21)22(29)28-10-9-27(15-6-7-15)18-3-1-2-4-19(18)28/h1-5,8,11-13,15H,6-7,9-10H2
PubChem CID71452080
ChEMBLCHEMBL2181256
IUPHARN/A
BindingDB50399955
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
31654G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330
31655G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329

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