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Target
Ectonucleoside triphosphate diphosphohydrolase 1
Ligand
BDBM50552129
Substrate
n/a
Meas. Tech.
ChEMBL_2033475 (CHEMBL4687633)
Ki
20000±n/a nM
Citation
 Jeffrey, JL; Lawson, KV; Powers, JP Targeting Metabolism of Extracellular Nucleotides via Inhibition of Ectonucleotidases CD73 and CD39. J Med Chem 63:13444-13465 (2020) [PubMed]  Article
Target
Name:
Ectonucleoside triphosphate diphosphohydrolase 1
Synonyms:
ATPDase | CD_antigen=CD39 | Cd39 | ENTP1_RAT | Ecto-ATP diphosphohydrolase | Ecto-apyrase | Entpd1 | Lymphoid cell activation antigen | NTPDase 1
Type:
PROTEIN
Mol. Mass.:
57412.31
Organism:
Rattus norvegicus
Description:
ChEMBL_463990
Residue:
511
Sequence:
MEDIKDSKVKRFCSKNILIILGFSSVLAVIALIAVGLTHNKPLPENVKYGIVLDAGSSHTNLYIYKWPAEKENDTGVVQLLEECQVKGPGISKYAQKTDEIAAYLAECMKMSTERIPASKQHQTPVYLGATAGMRLLRMESKQSADEVLAAVSRSLKSYPFDFQGAKIITGQEEGAYGWITINYLLGRFTQEQSWLNFISDSQKQATFGALDLGGSSTQVTFVPLNQTLEAPETSLQFRLYGTDYTVYTHSFLCYGKDQALWQKLAQDIQVSSGGILKDPCFYPGYKKVVNVSELYGTPCTKRFEKKLPFNQFQVQGTGDYEQCHQSILKFFNNSHCPYSQCAFNGVFLPPLQGSFGAFSAFYFVMDFFKKMANDSVSSQEKMTEITKNFCSKPWEEVKASYPTVKEKYLSEYCFSGTYILSLLLQGYNFTGTSWDQIHFMGKIKDSNAGWTLGYMLNLTNMIPAEQPLSPPLPHSTYISLMVLFSLVLVAMVITGLFIFSKPSYFWKEAV
  
Inhibitor
Name:
BDBM50552129
Synonyms:
CHEMBL4744335
Type:
Small organic molecule
Emp. Form.:
C29H16ClN7Na4O14S4
Mol. Mass.:
942.148
SMILES:
[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1c(cc(-[#7]-c2ccc(-[#7]-c3nc(Cl)nc(-[#7]-c4ccc(c(c4)S([#8-])(=O)=O)S([#8-])(=O)=O)n3)c(c2)S([#8-])(=O)=O)c2-[#6](=O)-c3ccccc3-[#6](=O)-c12)S([#8-])(=O)=O
Structure:
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