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Target
Endothelin-1 receptor
Ligand
BDBM50124446
Substrate
n/a
Meas. Tech.
ChEMBL_1923367 (CHEMBL4426323)
IC50
22±n/a nM
Citation
 Boss, C; Bolli, MH; Gatfield, J From bosentan (TracleerŪ) to macitentan (OpsumitŪ): The medicinal chemistry perspective. Bioorg Med Chem Lett 26:3381-94 (2016) [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:
BDBM50124446
Synonyms:
5-Isopropyl-pyridine-2-sulfonic acid {2-cyclopropyl-5-(2-methoxy-phenoxy)-6-[3-(thiophene-2-sulfonylamino)-propoxy]-pyrimidin-4-yl}-amide | CHEMBL367444
Type:
Small organic molecule
Emp. Form.:
C29H33N5O7S3
Mol. Mass.:
659.797
SMILES:
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCCNS(=O)(=O)c1cccs1)C1CC1
Structure:
Search PDB for entries with ligand similarity: