Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50022385 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_209112 |
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IC50 | 160000±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 |
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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BDBM50022385 |
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n/a |
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Name | BDBM50022385 |
Synonyms: | 2-{4-[2-(2-Amino-4-hydroxy-pyrido[3,2-d]pyrimidin-6-yl)-ethylamino]-benzoylamino}-pentanedioic acid | CHEMBL36674 |
Type | Small organic molecule |
Emp. Form. | C21H22N6O6 |
Mol. Mass. | 454.436 |
SMILES | Nc1nc2ccc(CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 |
Structure |
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