Reaction Details |
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Target | Thymidine kinase |
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Ligand | BDBM50101071 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_210614 |
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IC50 | 0.130000±n/a nM |
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Citation | Martin, JA; Lambert, RW; Merrett, JH; Parkes, KE; Thomas, GJ; Baker, SJ; Bushnell, DJ; Cansfield, JE; Dunsdon, SJ; Freeman, AC; Hopkins, RA; Johns, IR; Keech, E; Simmonite, H; Walmsley, A; Wong Kai-In, P; Holland, M Nucleoside analogues as highly potent and selective inhibitors of herpes simplex virus thymidine kinase. Bioorg Med Chem Lett11:1655-8 (2001) [PubMed] |
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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: | n/a |
Type: | PROTEIN |
Mol. Mass.: | 40396.73 |
Organism: | Human herpesvirus 2 |
Description: | ChEMBL_474155 |
Residue: | 376 |
Sequence: | MASHAGQQHAPAFGQAARASGPTDGRAASRPSHRQGASGARGDPELPTLLRVYIDGPHGV
GKTTTSAQLMEALGPRDNIVYVPEPMTYWQVLGASETLTNIYNTQHRLDRGEISAGEAAV
VMTSAQITMSTPYAATDAVLAPHIGGEAVGPQAPPPALTLVFDRHPIASLLCYPAARYLM
GSMTPQAVLAFVALMPPTAPGTNLVLGVLPEAEHADRLARRQRPGERLDLAMLSAIRRVY
DLLANTVRYLQRGGRWREDWGRLTGVAAATPRPDPEDGAGSLPRIEDTLFALFRVPELLA
PNGDLYHIFAWVLDVLADRLLPMHLFVLDYDQSPVGCRDALLRLTAGMIPTRVTTAGSIA
EIRDLARTFAREVGGV
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BDBM50101071 |
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n/a |
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Name | BDBM50101071 |
Synonyms: | 10,10-Dioxo-9,10-dihydro-10lambda*6*-thioxanthene-9-carboxylic acid [(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-amide | CHEMBL42459 |
Type | Small organic molecule |
Emp. Form. | C25H25N3O7S |
Mol. Mass. | 511.547 |
SMILES | CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4S(=O)(=O)c4ccccc34)O2)c(=O)[nH]c1=O |
Structure |
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