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Target
Endothelin-1 receptor
Ligand
BDBM50045227
Substrate
n/a
Meas. Tech.
ChEBML_65825
IC50
2450±n/a nM
Citation
 Doherty, AM; Cody, WL; DePue, PL; He, JX; Waite, LA; Leonard, DM; Leitz, NL; Dudley, DT; Rapundalo, ST; Hingorani, GP Structure-activity relationships of C-terminal endothelin hexapeptide antagonists. J Med Chem 36:2585-94 (1993) [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:
BDBM50045227
Synonyms:
(S)-3-[2-((R)-2-Acetylamino-3-phenyl-propionylamino)-5-amino-pentanoylamino]-N-{(S)-1-[(S)-1-((S)-carboxy-2-(S)-1-1H-indol-3-yl-ethylcarbamoyl)-2-(S)-methyl-butylcarbamoyl]-2-methyl-butyl}-succinamic acid | Ac-D-Phe-Orn-Asp-Ile-Ile-Trp | CHEMBL2370070
Type:
Small organic molecule
Emp. Form.:
C43H60N8O10
Mol. Mass.:
848.9841
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Structure:
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