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Ligand

NameCHEMBL399918
Molecular formulaC18H19BrN2O5S2
IUPAC namemethyl 3-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]thiophene-2-carboxylate
Molecular weight487.383
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.9
SynonymsSCHEMBL4747021
Inchi KeyASIDPENANBAGQB-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19BrN2O5S2/c1-26-18(23)16-15(7-10-27-16)28(24,25)20-14-11-12(19)5-6-13(14)17(22)21-8-3-2-4-9-21/h5-7,10-11,20H,2-4,8-9H2,1H3
PubChem CID25033227
ChEMBLCHEMBL399918
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
13176Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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