Reaction Details Report a problem with these data
Target
Ectonucleoside triphosphate diphosphohydrolase 1
Ligand
BDBM50262251
Substrate
n/a
Meas. Tech.
ChEMBL_514290 (CHEMBL979120)
Ki
182000±n/a nM
Citation
 Brunschweiger, A; Iqbal, J; Umbach, F; Scheiff, AB; Munkonda, MN; Sévigny, J; Knowles, AF; Müller, CE Selective nucleoside triphosphate diphosphohydrolase-2 (NTPDase2) inhibitors: nucleotide mimetics derived from uridine-5'-carboxamide. J Med Chem 51:4518-28 (2008) [PubMed]  Article 
Target
Name:
Ectonucleoside triphosphate diphosphohydrolase 1
Synonyms:
CD39 | ENTP1_HUMAN | ENTPD1
Type:
PROTEIN
Mol. Mass.:
57962.31
Organism:
Homo sapiens (Human)
Description:
ChEMBL_612638
Residue:
510
Sequence:
MEDTKESNVKTFCSKNILAILGFSSIIAVIALLAVGLTQNKALPENVKYGIVLDAGSSHTSLYIYKWPAEKENDTGVVHQVEECRVKGPGISKFVQKVNEIGIYLTDCMERAREVIPRSQHQETPVYLGATAGMRLLRMESEELADRVLDVVERSLSNYPFDFQGARIITGQEEGAYGWITINYLLGKFSQKTRWFSIVPYETNNQETFGALDLGGASTQVTFVPQNQTIESPDNALQFRLYGKDYNVYTHSFLCYGKDQALWQKLAKDIQVASNEILRDPCFHPGYKKVVNVSDLYKTPCTKRFEMTLPFQQFEIQGIGNYQQCHQSILELFNTSYCPYSQCAFNGIFLPPLQGDFGAFSAFYFVMKFLNLTSEKVSQEKVTEMMKKFCAQPWEEIKTSYAGVKEKYLSEYCFSGTYILSLLLQGYHFTADSWEHIHFIGKIQGSDAGWTLGYMLNLTNMIPAEQPLSTPLSHSTYVFLMVLFSLVLFTVAIIGLLIFHKPSYFWKDMV
  
Inhibitor
Name:
BDBM50262251
Synonyms:
4-[4-((2S,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofurane-2-carboxamido)butylamido]benzylphosphonic acid diethyl ester | CHEMBL463519
Type:
Small organic molecule
Emp. Form.:
C24H33N4O10P
Mol. Mass.:
568.5134
SMILES:
CCOP(=O)(Cc1ccc(NC(=O)CCCNC(=O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)cc1)OCC |r|
Structure:
Search PDB for entries with ligand similarity: