Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50058086
Substrate
n/a
Meas. Tech.
ChEMBL_65483 (CHEMBL682358)
IC50
19±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:
BDBM50058086
Synonyms:
3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid benzo[1,3]dioxol-5-ylamide | CHEMBL283136
Type:
Small organic molecule
Emp. Form.:
C16H12BrN3O6S2
Mol. Mass.:
486.317
SMILES:
Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc3OCOc3c2)c1Br
Structure:
Search PDB for entries with ligand similarity: