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Ligand

NameCHEMBL3353507
Molecular formulaC19H22N2O4S
IUPAC name4-[[1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-methylamino]butanoic acid
Molecular weight374.455
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.1
SynonymsBDBM50032332
Inchi KeyCBQBMHIAYXMOHE-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N2O4S/c1-19(18(25)20(2)10-5-8-16(22)23)9-11-21(19)17(24)14-12-26-15-7-4-3-6-13(14)15/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,22,23)
PubChem CID118719622
ChEMBLCHEMBL3353507
IUPHARN/A
BindingDB50032332
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
443199Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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