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Ligand

NameMLS000416520
Molecular formulaC21H19BrN2O6S2
IUPAC name[2-(4-bromoanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
Molecular weight539.415
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.1
SynonymsSMR000243419
[2-(4-bromoanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
AC1M979B
CHEMBL1470802
BDBM88607
[ Show all ]
Inchi KeyAOGPKUWIJLMYCC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19BrN2O6S2/c1-24(32(27,28)21-3-2-12-31-21)17-8-10-18(11-9-17)29-14-20(26)30-13-19(25)23-16-6-4-15(22)5-7-16/h2-12H,13-14H2,1H3,(H,23,25)
PubChem CID2577649
ChEMBLCHEMBL1470802
IUPHARN/A
BindingDB88607
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
10222Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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