| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50022387 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_209112 |
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| IC50 | 75000±n/a nM |
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| Citation |  DeGraw, JI; Colwell, WT; Brown, VH; Sato, M; Kisliuk, RL; Gaumont, Y; Thorndike, J; Sirotnak, FM Synthesis and biological evaluation of 8-deazahomofolic acid and its tetrahydro derivative. J Med Chem31:150-3 (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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| BDBM50022387 |
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| n/a |
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| Name | BDBM50022387 |
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| Synonyms: | 2-{4-[(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido[3,2-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL36639 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H24N6O6 |
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| Mol. Mass. | 444.4412 |
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| SMILES | Nc1nc2CCC(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 |
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| Structure | 
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