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Target
Ectonucleoside triphosphate diphosphohydrolase 1
Ligand
BDBM18136
Substrate
n/a
Meas. Tech.
ChEMBL_2034691 (CHEMBL4688849)
IC50
>100000±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:
BDBM18136
Synonyms:
ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl]phosphonic acid | alpha, beta-methyleneadenosine 5 -diphosphate | cid_92199
Type:
Nucleoside or nucleotide
Emp. Form.:
C11H17N5O9P2
Mol. Mass.:
425.2283
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Structure:
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