Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50058074
Substrate
n/a
Meas. Tech.
ChEMBL_65483 (CHEMBL682358)
IC50
549±n/a nM
Citation
 Wu, C; Chan, MF; Stavros, F; Raju, B; Okun, I; Castillo, RS Structure-activity relationships of N2-aryl-3-(isoxazolylsulfamoyl)-2-thiophenecarboxamides as selective endothelin receptor-A antagonists. J Med Chem 40:1682-9 (1997) [PubMed]  Article 
Target
Name:
Endothelin-1 receptor
Synonyms:
EDNRA | EDNRA_HUMAN | ET-A | ETA | ETA-R | ETRA | Endothelin receptor type A | Endothelin receptor, ET-A/ET-B | hET-AR
Type:
Enzyme Catalytic Domain
Mol. Mass.:
48736.88
Organism:
Homo sapiens (Human)
Description:
P25101
Residue:
427
Sequence:
METLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYRGEQHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYNEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHDQNNHNTDRSSHKDSMN
  
Inhibitor
Name:
BDBM50058074
Synonyms:
2-{[3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carbonyl]-amino}-3,5-dimethoxy-benzoic acid methyl ester | CHEMBL295632
Type:
Small organic molecule
Emp. Form.:
C19H18ClN3O8S2
Mol. Mass.:
515.945
SMILES:
COC(=O)c1cc(OC)cc(OC)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
Structure:
Search PDB for entries with ligand similarity: