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Ligand

NameCHEMBL3353509
Molecular formulaC24H30N2O4S
IUPAC name4-[[1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-cyclohexylamino]butanoic acid
Molecular weight442.574
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50032335
Inchi KeyKZKCOXFNUHITLC-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30N2O4S/c1-24(23(30)25(14-7-12-21(27)28)17-8-3-2-4-9-17)13-15-26(24)22(29)19-16-31-20-11-6-5-10-18(19)20/h5-6,10-11,16-17H,2-4,7-9,12-15H2,1H3,(H,27,28)
PubChem CID118719624
ChEMBLCHEMBL3353509
IUPHARN/A
BindingDB50032335
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
448851Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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