Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50079437
Substrate
n/a
Meas. Tech.
ChEMBL_65646 (CHEMBL678558)
Ki
290±n/a nM
Citation
 Amberg, W; Hergenröder, S; Hillen, H; Jansen, R; Kettschau, G; Kling, A; Klinge, D; Raschack, M; Riechers, H; Unger, L Discovery and synthesis of (S)-3-[2-(3,4-dimethoxyphenyl)ethoxy]-2- (4,6-dimethylpyrimidin-2-yloxy)-3,3-diphenylpropionic acid (LU 302872), a novel orally active mixed ET(A)/ET(B) receptor antagonist. J Med Chem 42:3026-32 (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:
BDBM50079437
Synonyms:
3,3-Bis-(4-chloro-phenyl)-3-[2-(3,4-dimethoxy-phenyl)-ethoxy]-2-(4-methoxy-6,7-dihydro-5H-cyclopentapyrimidin-2-yloxy)-propionic acid | CHEMBL103605
Type:
Small organic molecule
Emp. Form.:
C33H32Cl2N2O7
Mol. Mass.:
639.522
SMILES:
COc1ccc(CCOC(C(Oc2nc3CCCc3c(OC)n2)C(O)=O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC
Structure:
Search PDB for entries with ligand similarity: