| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50022738 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_209295 |
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| IC50 | 2900±n/a nM |
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| Citation |  Piper, JR; McCaleb, GS; Montgomery, JA; Kisliuk, RL; Gaumont, Y; Thorndike, J; Sirotnak, FM Synthesis and antifolate activity of 5-methyl-5,10-dideaza analogues of aminopterin and folic acid and an alternative synthesis of 5,10-dideazatetrahydrofolic acid, a potent inhibitor of glycinamide ribonucleotide formyltransferase. J Med Chem31:2164-9 (1988) [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: | 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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| BDBM50022738 |
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| n/a |
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| Name | BDBM50022738 |
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| Synonyms: | 2-{4-[2-(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid | CHEMBL69016 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H24N6O5 |
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| Mol. Mass. | 452.4632 |
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| SMILES | Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(N)c12 |
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| Structure | 
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