Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50050976
Substrate
n/a
Meas. Tech.
ChEMBL_63357 (CHEMBL679121)
IC50
0.36±n/a nM
Citation
 Winn, M; von Geldern, TW; Opgenorth, TJ; Jae, HS; Tasker, AS; Boyd, SA; Kester, JA; Mantei, RA; Bal, R; Sorensen, BK; Wu-Wong, JR; Chiou, WJ; Dixon, DB; Novosad, EI; Hernandez, L; Marsh, KC 2,4-Diarylpyrrolidine-3-carboxylic acids--potent ETA selective endothelin receptor antagonists. 1. Discovery of A-127722. J Med Chem 39:1039-48 (1996) [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:
BDBM50050976
Synonyms:
4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid | CHEMBL8923
Type:
Small organic molecule
Emp. Form.:
C29H38N2O6
Mol. Mass.:
510.6218
SMILES:
CCCCN(CCCC)C(=O)CN1CC(C(C1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Structure:
Search PDB for entries with ligand similarity: