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Target
Endothelin-1 receptor
Ligand
BDBM50088243
Substrate
n/a
Meas. Tech.
ChEMBL_65648 (CHEMBL678560)
Ki
400±n/a nM
Citation
 Wintner, EA; Moallemi, CC Quantized surface complementarity diversity (QSCD): a model based on small molecule-target complementarity. J Med Chem 43:1993-2006 (2000) [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:
BDBM50088243
Synonyms:
3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(3,4-dichloro-phenyl)-5-hydroxy-dihydro-furan-2-one | CHEMBL64200
Type:
Small organic molecule
Emp. Form.:
C24H18Cl2O5
Mol. Mass.:
457.303
SMILES:
O[C@]1(OC(=O)C(C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(Cl)c(Cl)c1
Structure:
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