Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50051022
Substrate
n/a
Meas. Tech.
ChEMBL_63357 (CHEMBL679121)
IC50
0.43±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:
BDBM50051022
Synonyms:
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-{[bis-(3-methyl-butyl)-carbamoyl]-methyl}-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid | CHEMBL269141
Type:
Small organic molecule
Emp. Form.:
C31H42N2O6
Mol. Mass.:
538.675
SMILES:
COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CC(=O)N(CCC(C)C)CCC(C)C)c1ccc2OCOc2c1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: