Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50079433
Substrate
n/a
Meas. Tech.
ChEMBL_65646 (CHEMBL678558)
Ki
155±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:
BDBM50079433
Synonyms:
3,3-Bis-(4-ethyl-phenyl)-2-(4-methoxy-6-methyl-pyrimidin-2-yloxy)-3-[2-(4-methoxy-phenyl)-ethoxy]-propionic acid | CHEMBL322996
Type:
Small organic molecule
Emp. Form.:
C34H38N2O6
Mol. Mass.:
570.6753
SMILES:
CCc1ccc(cc1)C(OCCc1ccc(OC)cc1)(C(Oc1nc(C)cc(OC)n1)C(O)=O)c1ccc(CC)cc1
Structure:
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