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Target
Endothelin-1 receptor
Ligand
BDBM50290059
Substrate
n/a
Meas. Tech.
ChEBML_65500
IC50
3±n/a nM
Citation
 Neidhart, W; Breu, V; Burri, K; Clozel, M; Hirth, G; Klinkhammer, U; Giller, T; Ramuz, H Discovery of Ro 48-5695: A potent mixed endothelin receptor antagonist optimized from bosentan Bioorg Med Chem Lett 7:2223-2228 (1997)    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:
Human
Description:
P25101
Residue:
427
Sequence:
METLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYRGEQHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYNEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHDQNNHNTDRSSHKDSMN
  
Inhibitor
Name:
BDBM50290059
Synonyms:
CHEMBL70895 | Pyridin-2-yl-carbamic acid 2-[6-(5-isopropyl-pyridine-2-sulfonylamino)-5-(2-methoxy-phenoxy)-2-piperidin-4-yl-pyrimidin-4-yloxy]-ethyl ester
Type:
Small organic molecule
Emp. Form.:
C32H37N7O7S
Mol. Mass.:
663.744
SMILES:
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)C1CCNCC1
Structure:
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