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Target
Endothelin-1 receptor
Ligand
BDBM50045244
Substrate
n/a
Meas. Tech.
ChEBML_63191
IC50
200±n/a nM
Citation
 Doherty, AM; Cody, WL; He, JX; DePue, PL; Leonard, DM; Jr., JD; Hill, KE; Flynn, MA; Reynolds, EE Design of C-terminal peptide antagonists of endothelin: structure-activity relationships of ET-[16–21, D-His16] Bioorg Med Chem Lett 3:497-502 (1993)    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:
BDBM50045244
Synonyms:
(S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-3-phenyl-propionylamino]-N-{(S)-1-[(S)-(S)-1-((S)-1-carboxy-2-(S)-1H-indol-3-yl-ethylcarbamoyl)-2-methyl-butylcarbamoyl]-2-methyl-butyl}-succinamic acid | Ac-D-Phe-D-Phe-Asp-Ile-Ile-Trp | CHEMBL313984
Type:
Small organic molecule
Emp. Form.:
C47H59N7O10
Mol. Mass.:
882.0123
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Structure:
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