Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50077944
Substrate
n/a
Meas. Tech.
ChEMBL_65479 (CHEMBL677308)
IC50
0.38±n/a nM
Citation
 Patt, WC; Cheng, XM; Repine, JT; Lee, C; Reisdorph, BR; Massa, MA; Doherty, AM; Welch, KM; Bryant, JW; Flynn, MA; Walker, DM; Schroeder, RL; Haleen, SJ; Keiser, JA Butenolide endothelin antagonists with improved aqueous solubility. J Med Chem 42:2162-8 (1999) [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:
BDBM50077944
Synonyms:
CHEMBL408055 | Sodium; 3-{5-[4-benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-methoxy-phenyl)-5-oxo-2,5-dihydro-furan-3-ylmethyl]-2,3-dimethoxy-phenoxy}-propane-1-sulfonate
Type:
Small organic molecule
Emp. Form.:
C30H29O12S
Mol. Mass.:
613.61
SMILES:
COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCS([O-])(=O)=O)c1)c1ccc2OCOc2c1 |c:14|
Structure:
Search PDB for entries with ligand similarity: