| Reaction Details |
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 | Report a problem with these data |
| Target | Ectonucleoside triphosphate diphosphohydrolase 1 |
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| Ligand | BDBM4078 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2034691 (CHEMBL4688849) |
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| IC50 | 500±n/a nM |
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| 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 Lett34:0 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Ectonucleoside triphosphate diphosphohydrolase 1 |
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| Name: | Ectonucleoside triphosphate diphosphohydrolase 1 |
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| 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 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 57200.10 |
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| Organism: | Mus musculus |
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| Description: | ChEMBL_120146 |
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| Residue: | 510 |
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| Sequence: | MEDIKDSKVKRFCSKNILIILGFTSILAVIALIAVGLTQNKPLPENVKYGIVLDAGSSHT
NLYIYKWPAEKENDTGVVQQLEECQVKGPGISKYAQKTDEIGAYLAECMELSTELIPTSK
HHQTPVYLGATAGMRLLRMESEQSADEVLAAVSTSLKSYPFDFQGAKIITGQEEGAYGWI
TINYLLGRFTQEQSWLSLISDSQKQETFGALDLGGASTQITFVPQNSTIESPENSLQFRL
YGEDYTVYTHSFLCYGKDQALWQKLAKDIQVSSGGVLKDPCFNPGYEKVVNVSELYGTPC
TKRFEKKLPFDQFRIQGTGDYEQCHQSILELFNNSHCPYSQCAFNGVFLPPLHGSFGAFS
AFYFVMDFFKKVAKNSVISQEKMTEITKNFCSKSWEETKTSYPSVKEKYLSEYCFSGAYI
LSLLQGYNFTDSSWEQIHFMGKIKDSNAGWTLGYMLNLTNMIPAEQPLSPPLPHSTYIGL
MVLFSLLLVAVAITGLFIYSKPSYFWKEAV
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| BDBM4078 |
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| n/a |
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| Name | BDBM4078 |
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| Synonyms: | 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione | CHEMBL6246 | ELLAGIC ACID | Elagic Acid | Ellagic acid (18) | Ellagic acid dihydrate | MLS000069632 | SMR000058244 | cid_5281855 |
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| Type | Small organic molecule |
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| Emp. Form. | C14H6O8 |
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| Mol. Mass. | 302.1926 |
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| SMILES | Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O |
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| Structure | 
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