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Ligand

NameCHEMBL45875
Molecular formulaC18H18N2O4S2
IUPAC nameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(4-methylphenyl)acetyl]thiophene-3-sulfonamide
Molecular weight390.472
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.6
SynonymsSCHEMBL6961958
BDBM50058137
2-(2-p-Tolyl-acetyl)-thiophene-3-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
BGVMHOXNOKQCIL-UHFFFAOYSA-N
N-(3,4-dimethyl-5-isoxazolyl)-2-(4-tolylacetyl)thiophene-3-sulfonamide
Inchi KeyBGVMHOXNOKQCIL-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H18N2O4S2/c1-11-4-6-14(7-5-11)10-15(21)17-16(8-9-25-17)26(22,23)20-18-12(2)13(3)19-24-18/h4-9,20H,10H2,1-3H3
PubChem CID10715441
ChEMBLCHEMBL45875
IUPHARN/A
BindingDB50058137
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
23457Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
23458Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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