Reaction Details  Report a problem with these data
Target
Ectonucleoside triphosphate diphosphohydrolase 1
Ligand
BDBM50378649
Substrate
n/a
Meas. Tech.
ChEMBL_2033475 (CHEMBL4687633)
Ki
328±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:
BDBM50378649
Synonyms:
CHEMBL597197
Type:
Small organic molecule
Emp. Form.:
C24H15N2O5S
Mol. Mass.:
443.452
SMILES:
Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3ccccc3c2)cc1S([O-])(=O)=O
Structure:
Search PDB for entries with ligand similarity: