| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidine kinase |
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| Ligand | BDBM50201000 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_422917 (CHEMBL908768) |
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| IC50 | 700±n/a nM |
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| Citation |  Hernandez, AI; Familiar, O; Negri, A; Rodríguez-Barrios, F; Gago, F; Karlsson, A; Camarasa, MJ; Balzarini, J; Pérez-Pérez, MJ N1-substituted thymine derivatives as mitochondrial thymidine kinase (TK-2) inhibitors. J Med Chem49:7766-73 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Thymidine kinase |
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| Name: | Thymidine kinase |
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| Synonyms: | KITH_HHV1 | TK | UL23 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 40902.47 |
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| Organism: | Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1) |
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| Description: | ChEMBL_474154 |
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| Residue: | 376 |
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| Sequence: | MASYPCHQHASAFDQAARSRGHSNRRTALRPRRQQEATEVRLEQKMPTLLRVYIDGPHGM
GKTTTTQLLVALGSRDDIVYVPEPMTYWQVLGASETIANIYTTQHRLDQGEISAGDAAVV
MTSAQITMGMPYAVTDAVLAPHIGGEAGSSHAPPPALTLIFDRHPIAALLCYPAARYLMG
SMTPQAVLAFVALIPPTLPGTNIVLGALPEDRHIDRLAKRQRPGERLDLAMLAAIRRVYG
LLANTVRYLQGGGSWREDWGQLSGTAVPPQGAEPQSNAGPRPHIGDTLFTLFRAPELLAP
NGDLYNVFAWALDVLAKRLRPMHVFILDYDQSPAGCRDALLQLTSGMVQTHVTTPGSIPT
ICDLARTFAREMGEAN
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| BDBM50201000 |
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| n/a |
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| Name | BDBM50201000 |
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| Synonyms: | 4-[1,1-(diphenyl)-1-[(6-thymin-1-yl)hexyloxy]methyl]-N-methylbenzamide | CHEMBL219299 |
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| Type | Small organic molecule |
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| Emp. Form. | C32H35N3O4 |
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| Mol. Mass. | 525.638 |
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| SMILES | CNC(=O)c1ccc(cc1)C(OCCCCCCn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 |
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| Structure | 
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