| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM20683 |
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| Substrate/Competitor | BDBM18754 |
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| Meas. Tech. | Thymidylate Synthase (TS) Assay |
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| pH | 7.4±n/a |
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| Temperature | 303.15±n/a K |
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| IC50 | 15000±n/a nM |
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| Citation |  Gangjee, A; Li, W; Yang, J; Kisliuk, RL Design, synthesis, and biological evaluation of classical and nonclassical 2-amino-4-oxo-5-substituted-6-methylpyrrolo[3,2-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors. J Med Chem51:68-76 (2008) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Thymidylate synthase |
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| Name: | Thymidylate synthase |
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| Synonyms: | TS | TSase | TYSY_ECOLI | Thymidylate Synthase (TS) | thyA |
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| Type: | Enzyme |
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| Mol. Mass.: | 30475.81 |
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| Organism: | Escherichia coli |
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| Description: | n/a |
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| Residue: | 264 |
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| Sequence: | MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELL
WFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLK
NDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIAS
YALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF
DYRFEDFEIEGYDPHPGIKAPVAI
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| BDBM20683 |
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| BDBM18754 |
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| Name | BDBM20683 |
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| Synonyms: | 2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one | Pyrrolo[3,2-d]pyrimidine analogue, 11 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H16N4O2 |
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| Mol. Mass. | 284.3131 |
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| SMILES | COc1ccc(Cn2c(C)cc3nc(N)[nH]c(=O)c23)cc1 |
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| Structure | 
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