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Ligand

NameMLS000519989
Molecular formulaC16H16BrNO5S2
IUPAC nameethyl 4-[3-(5-bromothiophen-2-yl)sulfonylpropanoylamino]benzoate
Molecular weight446.33
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.2
SynonymsMCULE-2244922082
ethyl 4-({3-[(5-bromothien-2-yl)sulfonyl]propanoyl}amino)benzoate
MolPort-007-603-302
AKOS001795568
EU-0057009
[ Show all ]
Inchi KeyADTFOLCJIQFYRD-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H16BrNO5S2/c1-2-23-16(20)11-3-5-12(6-4-11)18-14(19)9-10-25(21,22)15-8-7-13(17)24-15/h3-8H,2,9-10H2,1H3,(H,18,19)
PubChem CID9550389
ChEMBLCHEMBL1600836
IUPHARN/A
BindingDBN/A
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
3068Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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