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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 CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL3787140
Molecular formulaC21H17ClN2O4
IUPAC nameN-[3-chloro-4-(7-methoxy-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
Molecular weight396.827
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50159587
Inchi KeyAXPKFWPLTXHKSI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H17ClN2O4/c1-12-8-9-28-19(12)20(25)23-13-6-7-17(16(22)10-13)24-11-15-14(21(24)26)4-3-5-18(15)27-2/h3-10H,11H2,1-2H3,(H,23,25)
PubChem CID127030654
ChEMBLCHEMBL3787140
IUPHARN/A
BindingDB50159587
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
521974Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194

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