Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM36713 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Enzyme Assay |
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pH | 7.4±0 |
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Temperature | 293.15±0 K |
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IC50 | 8.6e+4±n/a nM |
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Citation | Tondi, D; Slomczynska, U; Costi, MP; Watterson, DM; Ghelli, S; Shoichet, BK Structure-based discovery and in-parallel optimization of novel competitive inhibitors of thymidylate synthase. Chem Biol6:319-31 (1999) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, 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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BDBM36713 |
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n/a |
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Name | BDBM36713 |
Synonyms: | Dansyltyrosine deriviative 32B |
Type | Small organic molecule |
Emp. Form. | C31H36N2O8S2 |
Mol. Mass. | 628.756 |
SMILES | [H][C@]12CCC(CS(=O)(=O)N[C@@H](Cc3ccc(OS(=O)(=O)c4cccc5c(cccc45)N(C)C)cc3)C(O)=O)(C(=O)C1)C2(C)C |r| |
Structure |
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