Reaction Details |
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Target | Thymidine kinase |
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Ligand | BDBM50200992 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_422917 (CHEMBL908768) |
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IC50 | 42000±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 |
Synonyms: | KITH_HHV1 | TK | UL23 |
Type: | PROTEIN |
Mol. Mass.: | 40902.47 |
Organism: | Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1) |
Description: | ChEMBL_474154 |
Residue: | 376 |
Sequence: | MASYPCHQHASAFDQAARSRGHSNRRTALRPRRQQEATEVRLEQKMPTLLRVYIDGPHGM
GKTTTTQLLVALGSRDDIVYVPEPMTYWQVLGASETIANIYTTQHRLDQGEISAGDAAVV
MTSAQITMGMPYAVTDAVLAPHIGGEAGSSHAPPPALTLIFDRHPIAALLCYPAARYLMG
SMTPQAVLAFVALIPPTLPGTNIVLGALPEDRHIDRLAKRQRPGERLDLAMLAAIRRVYG
LLANTVRYLQGGGSWREDWGQLSGTAVPPQGAEPQSNAGPRPHIGDTLFTLFRAPELLAP
NGDLYNVFAWALDVLAKRLRPMHVFILDYDQSPAGCRDALLQLTSGMVQTHVTTPGSIPT
ICDLARTFAREMGEAN
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BDBM50200992 |
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n/a |
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Name | BDBM50200992 |
Synonyms: | 4-[1,1-(diphenyl)-1-(Z)-[4-(thymin-1-yl)but-2-enoxy]methyl]-N-methylbenzamide | CHEMBL385954 |
Type | Small organic molecule |
Emp. Form. | C30H29N3O4 |
Mol. Mass. | 495.569 |
SMILES | CNC(=O)c1ccc(cc1)C(OC\C=C/Cn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 |
Structure |
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