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Ligand

NameCHEMBL47417
Molecular formulaC18H18BrN3O4S2
IUPAC name3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide
Molecular weight484.383
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.3
SynonymsSCHEMBL6151643
BDBM50058104
N-(4-Isopropylphenyl)-3-[(4-bromo-3-methylisoxazol-5-yl)sulfamoyl]-2-thiophenecarboxamide
3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (4-isopropyl-phenyl)-amide
Inchi KeyBFXDKRQKGCLOJU-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H18BrN3O4S2/c1-10(2)12-4-6-13(7-5-12)20-17(23)16-14(8-9-27-16)28(24,25)22-18-15(19)11(3)21-26-18/h4-10,22H,1-3H3,(H,20,23)
PubChem CID10672494
ChEMBLCHEMBL47417
IUPHARN/A
BindingDB50058104
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22722Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
22723Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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