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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

NameCHEMBL3706689
Molecular formulaC24H23ClN2O5
IUPAC name2-[[1-[2-(1-benzofuran-3-yl)acetyl]-2-methylazetidine-2-carbonyl]-[(4-chlorophenyl)methyl]amino]acetic acid
Molecular weight454.907
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.3
SynonymsSCHEMBL15375851
Inchi KeyIQRXHRLXJWKWSZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23ClN2O5/c1-24(23(31)26(14-22(29)30)13-16-6-8-18(25)9-7-16)10-11-27(24)21(28)12-17-15-32-20-5-3-2-4-19(17)20/h2-9,15H,10-14H2,1H3,(H,29,30)
PubChem CID89894269
ChEMBLCHEMBL3706689
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
480122Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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