| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50006907 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_210160 |
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| IC50 | 22720±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 |
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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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| BDBM50006907 |
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| n/a |
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| Name | BDBM50006907 |
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| Synonyms: | 2-{4-[(4-Oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL89641 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H20N4O6 |
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| Mol. Mass. | 424.4067 |
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| SMILES | OC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nc[nH]c(=O)c3c2)cc1)C(O)=O |
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| Structure | 
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