Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50017875 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_210160 |
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IC50 | 520±n/a nM |
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Citation | Jones, TR; Thornton, TJ; Flinn, A; Jackman, AL; Newell, DR; Calvert, AH Quinazoline antifolates inhibiting thymidylate synthase: 2-desamino derivatives with enhanced solubility and potency. J Med Chem32:847-52 (1989) [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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BDBM50017875 |
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n/a |
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Name | BDBM50017875 |
Synonyms: | 2-{4-[Ethyl-(4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL170846 |
Type | Small organic molecule |
Emp. Form. | C23H24N4O6 |
Mol. Mass. | 452.4599 |
SMILES | CCN(Cc1ccc2nc[nH]c(=O)c2c1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |
Structure |
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