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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

NameMLS003678763
Molecular formulaC25H22FN3O4
IUPAC name2-(1-benzofuran-2-yl)-N-(4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
Molecular weight447.466
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
SynonymsSMR002357285
CHEMBL2136580
Inchi KeyAEKWPCQQZMNXJK-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22FN3O4/c26-18-7-9-19(10-8-18)27-24(30)23(22-16-17-4-1-2-5-20(17)33-22)28-11-13-29(14-12-28)25(31)21-6-3-15-32-21/h1-10,15-16,23H,11-14H2,(H,27,30)
PubChem CID53384113
ChEMBLCHEMBL2136580
IUPHARN/A
BindingDBN/A
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
3580Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463324Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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