Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50085615 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_217695 |
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Ki | 15±n/a nM |
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Citation | Kalman, TI; Nie, Z; Kamat, A Mechanism-based inactivation of thymidylate synthase by 5-(3-fluoropropyn-1-yl)-2'-deoxyuridine 5'-phosphate. Bioorg Med Chem Lett10:391-4 (2000) [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 |
Synonyms: | TSase | TYSY_LACCA | Thymidylate Synthase (TS) | Thymidylate synthase | thyA |
Type: | Enzyme |
Mol. Mass.: | 36576.54 |
Organism: | Lactobacillus casei |
Description: | n/a |
Residue: | 316 |
Sequence: | MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSE
LLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHE
EMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRL
IVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLV
AHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIK
LLNYDPYPAIKAPVAV
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BDBM50085615 |
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n/a |
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Name | BDBM50085615 |
Synonyms: | CHEMBL3143067 | Phosphoric acid mono-{5-[5-(3-fluoro-prop-1-ynyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-3-hydroxy-tetrahydro-furan-2-ylmethyl} ester |
Type | Small organic molecule |
Emp. Form. | C12H14FN2O8P |
Mol. Mass. | 364.2203 |
SMILES | O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(C#CCF)c(=O)[nH]c1=O |r| |
Structure |
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