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Ligand

NameCHEMBL3353519
Molecular formulaC23H23N3O4S
IUPAC name4-[[1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-pyridin-2-ylamino]butanoic acid
Molecular weight437.514
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.0
SynonymsSCHEMBL11297902
BDBM50032345
Inchi KeyIGHPMGNQKGIERL-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23N3O4S/c1-23(22(30)25(13-6-10-20(27)28)19-9-4-5-12-24-19)11-14-26(23)21(29)17-15-31-18-8-3-2-7-16(17)18/h2-5,7-9,12,15H,6,10-11,13-14H2,1H3,(H,27,28)
PubChem CID70557652
ChEMBLCHEMBL3353519
IUPHARN/A
BindingDB50032345
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
446917Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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