Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetEndothelin-1 receptor
LigandBDBM50112751
Substrate/Competitorn/a
Meas. Tech.ChEMBL_63342 (CHEMBL679284)
IC50 0.48±n/a nM
Citation Ishizuka, NMatsumura, KSakai, KFujimoto, MMihara, SYamamori, T Structure-activity relationships of a novel class of endothelin-A receptor antagonists and discovery of potent and selective receptor antagonist, 2-(benzo[1,3]dioxol-5-yl)-6-isopropyloxy-4-(4-methoxyphenyl)-2H-chromene-3-carboxylic acid (S-1255). 1. Study on structure-activity relationships and bas J Med Chem45:2041-55 (2002) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Endothelin-1 receptor
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:
MGVLCFLASFWLALVGGAIADNAERYSANLSSHVEDFTPFPGTEFNFLGTTLQPPNLALP
SNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIA
SLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALS
VDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEQHRTCM
LNATTKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQ
RREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATM
NSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNHNTERSS
HKDSMN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50112751
n/a
NameBDBM50112751
Synonyms:2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-pentyloxy-2H-chromene-3-carboxylic acid | CHEMBL62762
TypeSmall organic molecule
Emp. Form.C25H28O7
Mol. Mass.440.4856
SMILESCCCCCOC1=C(C(Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O |t:6|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: