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Ligand

Name168279-54-7
Molecular formulaC12H14O3S2
IUPAC nameethyl 3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate
Molecular weight270.361
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.1
Synonymsethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
CHEMBL335334
Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-3-(methylthio)-4-oxo-, ethyl ester
ethyl 3-(methylsulfanyl)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate
SMR000459435
[ Show all ]
Inchi KeyBHVLZDJJLSBOHJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H14O3S2/c1-3-15-11(14)10-7-5-4-6-8(13)9(7)12(16-2)17-10/h3-6H2,1-2H3
PubChem CID2778748
ChEMBLCHEMBL335334
IUPHARN/A
BindingDB50048448
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24130Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
24132Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
24131Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
24133Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
24134Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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