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Ligand

NameCHEMBL3353508
Molecular formulaC22H28N2O4S
IUPAC name4-[[1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-butylamino]butanoic acid
Molecular weight416.536
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50032333
Inchi KeyKCGIACZGGGVCAD-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28N2O4S/c1-3-4-12-23(13-7-10-19(25)26)21(28)22(2)11-14-24(22)20(27)17-15-29-18-9-6-5-8-16(17)18/h5-6,8-9,15H,3-4,7,10-14H2,1-2H3,(H,25,26)
PubChem CID118719623
ChEMBLCHEMBL3353508
IUPHARN/A
BindingDB50032333
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
448209Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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