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Target
Endothelin-1 receptor
Ligand
BDBM50069565
Substrate
n/a
Meas. Tech.
ChEMBL_63502 (CHEMBL678230)
IC50
150±n/a nM
Citation
 Lewell, XQ; Jones, AC; Bruce, CL; Harper, G; Jones, MM; McLay, IM; Bradshaw, J Drug rings database with web interface. A tool for identifying alternative chemical rings in lead discovery programs. J Med Chem 46:3257-74 (2003) [PubMed]  Article 
Target
Name:
Endothelin-1 receptor
Synonyms:
EDNRA | EDNRA_HUMAN | ET-A | ETA | ETA-R | ETRA | Endothelin receptor type A | Endothelin receptor, ET-A/ET-B | hET-AR
Type:
Enzyme Catalytic Domain
Mol. Mass.:
48736.88
Organism:
Homo sapiens (Human)
Description:
P25101
Residue:
427
Sequence:
METLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYRGEQHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYNEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHDQNNHNTDRSSHKDSMN
  
Inhibitor
Name:
BDBM50069565
Synonyms:
3-Benzo[1,3]dioxol-5-yl-1-benzo[1,3]dioxol-5-ylmethyl-5,6-dimethoxy-1H-indole-2-carboxylic acid | CHEMBL276638
Type:
Small organic molecule
Emp. Form.:
C26H21NO8
Mol. Mass.:
475.4468
SMILES:
COc1cc2c(c(C(O)=O)n(Cc3ccc4OCOc4c3)c2cc1OC)-c1ccc2OCOc2c1
Structure:
Search PDB for entries with ligand similarity: