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Ligand

NameCHEMBL3717605
Molecular formulaC18H19ClN2O6S
IUPAC nameethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate
Molecular weight426.868
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.2
SynonymsSCHEMBL10249564
Inchi KeyGDBAPOVJQZHXGY-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19ClN2O6S/c1-3-27-17(22)11-20-18(23)15-10-12(19)4-9-16(15)21-28(24,25)14-7-5-13(26-2)6-8-14/h4-10,21H,3,11H2,1-2H3,(H,20,23)
PubChem CID59788614
ChEMBLCHEMBL3717605
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
524203C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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