Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50146606
Substrate
n/a
Meas. Tech.
ChEBML_63215
IC50
0.120000±n/a nM
Citation
 Funk, OF; Kettmann, V; Drimal, J; Langer, T Chemical function based pharmacophore generation of endothelin-A selective receptor antagonists. J Med Chem 47:2750-60 (2004) [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:
BDBM50146606
Synonyms:
(Z)-2-Benzo[1,3]dioxol-5-yl-4-(4-methoxy-phenyl)-4-oxo-3-(3,4,5-triethoxy-benzyl)-but-2-enoic acid | CHEMBL177378
Type:
Small organic molecule
Emp. Form.:
C31H32O9
Mol. Mass.:
548.5804
SMILES:
CCOc1cc(C\C(C(=O)c2ccc(OC)cc2)=C(\C(O)=O)c2ccc3OCOc3c2)cc(OCC)c1OCC
Structure:
Search PDB for entries with ligand similarity: