Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50010236 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1358288 (CHEMBL3284705) |
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Ki | 39±n/a nM |
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Citation | Wataya, Y; Santi, DV; Hansch, C Inhibition of Lactobacillus casei thymidylate synthetase by 5-substituted 2'-deoxyuridylates. Preliminary quantitative structure-activity relationship. J Med Chem20:1469-73 (1977) [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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BDBM50010236 |
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n/a |
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Name | BDBM50010236 |
Synonyms: | CHEMBL3144200 |
Type | Small organic molecule |
Emp. Form. | C10H12F3N2O8P |
Mol. Mass. | 376.1799 |
SMILES | O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(c(=O)[nH]c1=O)C(F)(F)F |r| |
Structure |
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