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Target
Ectonucleoside triphosphate diphosphohydrolase 1
Ligand
BDBM50241052
Substrate
n/a
Meas. Tech.
ChEMBL_2034691 (CHEMBL4688849)
IC50
1560±n/a nM
Citation
 Wang, Y; Wang, C; Zhu, Y; Zhang, Y; Chen, B; Wu, Y; Yao, J; Miao, Z Discovery of natural product ellagic acid as a potent CD73 and CD39 dual inhibitor. Bioorg Med Chem Lett 34:0 (2021) [PubMed]  Article 
Target
Name:
Ectonucleoside triphosphate diphosphohydrolase 1
Synonyms:
3.6.1.5 | CD_antigen=CD39 | Cd39 | ENTP1_MOUSE | Ecto-ATP diphosphohydrolase 1 | Ecto-ATPDase 1 | Ecto-ATPase 1 | Ecto-apyrase | Ectonucleoside triphosphate diphosphohydrolase 1 | Entpd1 | Lymphoid cell activation antigen | NTPDase 1
Type:
PROTEIN
Mol. Mass.:
57200.10
Organism:
Mus musculus
Description:
ChEMBL_120146
Residue:
510
Sequence:
MEDIKDSKVKRFCSKNILIILGFTSILAVIALIAVGLTQNKPLPENVKYGIVLDAGSSHTNLYIYKWPAEKENDTGVVQQLEECQVKGPGISKYAQKTDEIGAYLAECMELSTELIPTSKHHQTPVYLGATAGMRLLRMESEQSADEVLAAVSTSLKSYPFDFQGAKIITGQEEGAYGWITINYLLGRFTQEQSWLSLISDSQKQETFGALDLGGASTQITFVPQNSTIESPENSLQFRLYGEDYTVYTHSFLCYGKDQALWQKLAKDIQVSSGGVLKDPCFNPGYEKVVNVSELYGTPCTKRFEKKLPFDQFRIQGTGDYEQCHQSILELFNNSHCPYSQCAFNGVFLPPLHGSFGAFSAFYFVMDFFKKVAKNSVISQEKMTEITKNFCSKSWEETKTSYPSVKEKYLSEYCFSGAYILSLLQGYNFTDSSWEQIHFMGKIKDSNAGWTLGYMLNLTNMIPAEQPLSPPLPHSTYIGLMVLFSLLLVAVAITGLFIYSKPSYFWKEAV
  
Inhibitor
Name:
BDBM50241052
Synonyms:
1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose | 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | CHEMBL382408 | acs.jmedchem.1c00409_ST.650 | beta-D-glucopyranose pentakis(3,4,5-trihydroxybenzoate)
Type:
Small organic molecule
Emp. Form.:
C41H32O26
Mol. Mass.:
940.6772
SMILES:
Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
Structure:
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