| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50021749 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_210132 (CHEMBL879210) |
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| Ki | 2000±n/a nM |
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| Citation |  Vadnere, MK; Maggiora, L; Mertes, MP Thiol addition to quinones: model reactions for the inactivation of thymidylate synthase by 5-p-benzoquinonyl-2'-deoxyuridine 5'-phosphate. J Med Chem29:1714-20 (1986) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Thymidylate synthase |
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| Name: | Thymidylate synthase |
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| Synonyms: | TS | TSase | TYMS | TYSY_HUMAN | Thymidylate synthase (TS) | Thymidylate synthase/GAR transformylase/AICAR transformylase |
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| Type: | Enzyme |
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| Mol. Mass.: | 35718.07 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 313 |
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| Sequence: | MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFG
MQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDS
LGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMC
AWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHI
TGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEG
YNPHPTIKMEMAV
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| BDBM50021749 |
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| n/a |
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| Name | BDBM50021749 |
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| Synonyms: | CHEMBL3144392 | Phosphoric acid mono-{5-[5-(3,6-dioxo-cyclohexa-1,4-dienyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-3-hydroxy-tetrahydro-furan-2-ylmethyl} ester |
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| Type | Small organic molecule |
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| Emp. Form. | C15H15N2O10P |
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| Mol. Mass. | 414.2608 |
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| SMILES | O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(C2=CC(=O)C=CC2=O)c(=O)[nH]c1=O |r,c:20,t:16| |
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| Structure | 
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