Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50286237
Substrate
n/a
Meas. Tech.
ChEMBL_63512 (CHEMBL677262)
Ki
7000±n/a nM
Citation
 Murugesan, N; Zhengxiang, Gu; Lee, V; Webb, ML; Liu, EC; Hermsmeier, M; Hunt, JT Design and synthesis of nonpeptidal endothelin receptor antagonists based on the structure of a cyclic pentapeptide Bioorg Med Chem Lett 5:253-258 (1995)    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:
BDBM50286237
Synonyms:
CHEMBL86581 | [8-(Naphthalen-1-ylmethoxy)-11-oxo-5-propyl-5,11-dihydro-dibenzo[b,e][1,4]diazepin-10-yl]-acetic acid
Type:
Small organic molecule
Emp. Form.:
C29H26N2O4
Mol. Mass.:
466.5277
SMILES:
CCCN1c2ccc(OCc3cccc4ccccc34)cc2N(CC(O)=O)C(=O)c2ccccc12
Structure:
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