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Ligand

NameCHEMBL3353516
Molecular formulaC27H26N2O5S
IUPAC name4-[1-benzofuran-6-ylmethyl-[1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]amino]butanoic acid
Molecular weight490.574
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.0
SynonymsSCHEMBL11300002
BDBM50032342
Inchi KeyGMLZXIZFIGXRQK-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26N2O5S/c1-27(11-13-29(27)25(32)21-17-35-23-6-3-2-5-20(21)23)26(33)28(12-4-7-24(30)31)16-18-8-9-19-10-14-34-22(19)15-18/h2-3,5-6,8-10,14-15,17H,4,7,11-13,16H2,1H3,(H,30,31)
PubChem CID70558275
ChEMBLCHEMBL3353516
IUPHARN/A
BindingDB50032342
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
445626Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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