Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM85335
Substrate
n/a
Ki
0.13±n/a nM
Comments
PDSP_1669
Citation
 Ohlstein, EH; Nambi, P; Hay, DW; Gellai, M; Brooks, DP; Luengo, J; Xiang, JN; Elliott, JD Nonpeptide endothelin receptor antagonists. XI. Pharmacological characterization of SB 234551, a high-affinity and selective nonpeptide ETA receptor antagonist. J Pharmacol Exp Ther 286:650-6 (1998) [PubMed] 
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:
BDBM85335
Synonyms:
SB 234551 | SB-234551
Type:
Small organic molecule
Emp. Form.:
C34H34N2O9
Mol. Mass.:
614.6418
SMILES:
CCCCn1ncc(\C=C(/Cc2cc3OCOc3cc2OC)C(O)=O)c1-c1ccc(OC)cc1OCc1ccccc1C(O)=O |(5.96,3.45,;6.87,2.2,;8.4,2.36,;9.31,1.12,;10.84,1.28,;11.61,2.61,;13.11,2.29,;13.27,.76,;14.61,-.01,;15.94,.76,;15.94,2.3,;17.28,3.07,;18.61,2.3,;19.94,3.07,;21.41,2.6,;22.31,3.84,;21.41,5.09,;19.94,4.61,;18.61,5.38,;17.28,4.61,;15.94,5.38,;15.94,6.92,;17.28,-.01,;17.28,-1.55,;18.61,.76,;11.87,.13,;11.55,-1.37,;12.69,-2.4,;12.37,-3.91,;10.91,-4.38,;10.59,-5.89,;11.73,-6.92,;9.76,-3.35,;10.08,-1.85,;8.94,-.82,;7.47,-1.29,;6.33,-.26,;6.65,1.24,;5.51,2.27,;4.04,1.8,;3.72,.29,;4.86,-.74,;4.54,-2.24,;3.08,-2.72,;5.69,-3.28,)|
Structure:
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