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Target
Endothelin-1 receptor
Ligand
BDBM50066409
Substrate
n/a
Meas. Tech.
ChEMBL_63360 (CHEMBL620597)
IC50
22±n/a nM
Citation
 Liu, G; Henry, KJ; Szczepankiewicz, BG; Winn, M; Kozmina, NS; Boyd, SA; Wasicak, J; von Geldern, TW; Wu-Wong, JR; Chiou, WJ; Dixon, DB; Nguyen, B; Marsh, KC; Opgenorth, TJ Pyrrolidine-3-carboxylic acids as endothelin antagonists. 3. Discovery of a potent, 2-nonaryl, highly selective ETA antagonist (A-216546). J Med Chem 41:3261-75 (1998) [PubMed]  Article  BDB Entry
Target
Name:
Endothelin-1 receptor
Synonyms:
EDNRA | ENDOTHELIN A | 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:
BDBM50066409
Synonyms:
(2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(3-ethyl-pentyl)-pyrrolidine-3-carboxylic acid | CHEMBL112770
Type:
Small organic molecule
Emp. Form.:
C29H46N2O5
Mol. Mass.:
502.6859
SMILES:
CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCC(CC)CC)C(O)=O)c1ccc2OCOc2c1
Structure:
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