Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50532599
Substrate
n/a
Meas. Tech.
ChEMBL_1923367 (CHEMBL4426323)
Ki
0.110000±n/a nM
Citation
 Boss, C; Bolli, MH; Gatfield, J From bosentan (TracleerŪ) to macitentan (OpsumitŪ): The medicinal chemistry perspective. Bioorg Med Chem Lett 26:3381-94 (2016) [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:
BDBM50532599
Synonyms:
CHEMBL4559129
Type:
Small organic molecule
Emp. Form.:
C27H30N2O6S
Mol. Mass.:
510.602
SMILES:
CCCc1nc(C)ccc1O[C@@H](C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1 |r|
Structure:
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