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Target
Endothelin-1 receptor
Ligand
BDBM50395650
Substrate
n/a
Meas. Tech.
ChEMBL_859881 (CHEMBL2166382)
IC50
1.9±n/a nM
Citation
 Bolli, MH; Boss, C; Binkert, C; Buchmann, S; Bur, D; Hess, P; Iglarz, M; Meyer, S; Rein, J; Rey, M; Treiber, A; Clozel, M; Fischli, W; Weller, T The discovery of N-[5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-propylsulfamide (Macitentan), an orally active, potent dual endothelin receptor antagonist. J Med Chem 55:7849-61 (2012) [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:
Human
Description:
P25101
Residue:
427
Sequence:
METLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYRGEQHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYNEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHDQNNHNTDRSSHKDSMN
  
Inhibitor
Name:
BDBM50395650
Synonyms:
CHEMBL2163716
Type:
Small organic molecule
Emp. Form.:
C28H25BrN8O6S
Mol. Mass.:
681.517
SMILES:
COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(nc1OCCOc1ncc(Br)cn1)-c1ncccn1
Structure:
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