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Target
Ectonucleoside triphosphate diphosphohydrolase 1
Ligand
BDBM50307836
Substrate
n/a
Meas. Tech.
ChEMBL_612638 (CHEMBL1065675)
Ki
2590±n/a nM
Citation
 Baqi, Y; Lee, SY; Iqbal, J; Ripphausen, P; Lehr, A; Scheiff, AB; Zimmermann, H; Bajorath, J; Müller, CE Development of potent and selective inhibitors of ecto-5'-nucleotidase based on an anthraquinone scaffold. J Med Chem 53:2076-86 (2010) [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:
BDBM50307836
Synonyms:
CHEMBL608559 | Sodium 1-Amino-4-(2-anthracenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Type:
Small organic molecule
Emp. Form.:
C28H17N2O5S
Mol. Mass.:
493.511
SMILES:
Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3cc4ccccc4cc3c2)cc1S([O-])(=O)=O
Structure:
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