| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM36692 |
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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 | 2.56e+5±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 |
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| Synonyms: | TSase | TYSY_LACCA | Thymidylate Synthase (TS) | Thymidylate synthase | thyA |
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| Type: | Enzyme |
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| Mol. Mass.: | 36576.54 |
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| Organism: | Lactobacillus casei |
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| Description: | n/a |
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| Residue: | 316 |
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| Sequence: | MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSE
LLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHE
EMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRL
IVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLV
AHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIK
LLNYDPYPAIKAPVAV
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| BDBM36692 |
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| n/a |
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| Name | BDBM36692 |
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| Synonyms: | Dansyltyrosine deriviative 9B |
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| Type | Small organic molecule |
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| Emp. Form. | C27H28N4O8S3 |
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| Mol. Mass. | 632.728 |
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| SMILES | CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2sc(NC(C)=O)nc2C)C(O)=O)cc1 |r| |
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| Structure | 
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