Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetEDNRA
LigandBDBM50051007
Substrate/Competitorn/a
Meas. Tech.ChEMBL_63370
Ki 0.034±n/a nM
Citation Wu CDecker ERBlok NBui HYou TJWang JBourgoyne ARKnowles VBerens KLHolland GWBrock TADixon RA Discovery, modeling, and human pharmacokinetics of N-(2-acetyl-4,6-dimethylphenyl)-3-(3,4-dimethylisoxazol-5-ylsulfamoyl)thiophene-2-carboxamide (TBC3711), a second generation, ETA selective, and orally bioavailable endothelin antagonist. J Med Chem 47:1969-86 (2004) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
EDNRA
Name:Endothelin receptor
Synonyms: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:
MGVLCFLASFWLALVGGAIADNAERYSANLSSHVEDFTPFPGTEFNFLGTTLQPPNLALP
SNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIA
SLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALS
VDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEQHRTCM
LNATTKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQ
RREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATM
NSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNHNTERSS
HKDSMN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50051007
n/a
NameBDBM50051007
Synonyms:(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid | 4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid | A-127722 | CHEMBL9194
TypeSmall organic molecule
Emp. Form.C29H38N2O6
Mol. Mass.510.6218
SMILESCCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: