Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50368606
Substrate
n/a
Meas. Tech.
ChEMBL_63372 (CHEMBL676108)
Ki
0.240000±n/a nM
Citation
 Doherty, AM Endothelin: a new challenge. J Med Chem 35:1493-508 (1992) [PubMed]  Article 
Target
Name:
Endothelin-1 receptor
Synonyms:
EDNRA_RAT | ENDOTHELIN A | Ednra | Endothelin receptor | Endothelin-1 receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
48256.91
Organism:
RAT
Description:
ENDOTHELIN A EDNRA RAT::P26684
Residue:
426
Sequence:
MGVLCFLASFWLALVGGAIADNAERYSANLSSHVEDFTPFPGTEFNFLGTTLQPPNLALPSNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEQHRTCMLNATTKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNHNTERSSHKDSMN
  
Inhibitor
Name:
BDBM50368606
Synonyms:
Sarafotoxin S6B
Type:
Small organic molecule
Emp. Form.:
C110H159N27O34S5
Mol. Mass.:
2563.925
SMILES:
[H][C@]12CSSC[C@]([H])(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSSC[C@@H](N)C(=O)N[C@@H](CO)C(=O)N2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Structure:
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