| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM18803 |
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| Substrate/Competitor | BDBM18754 |
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| Meas. Tech. | Thymidylate Synthase (TS) Assay |
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| IC50 | >26000±n/a nM |
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| Citation |  Gangjee, A; Jain, HD; Phan, J; Lin, X; Song, X; McGuire, JJ; Kisliuk, RL Dual inhibitors of thymidylate synthase and dihydrofolate reductase as antitumor agents: design, synthesis, and biological evaluation of classical and nonclassical pyrrolo[2,3-d]pyrimidine antifolates(1). J Med Chem49:1055-65 (2006) [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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| BDBM18803 |
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| BDBM18754 |
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| Name | BDBM18803 |
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| Synonyms: | 2-amino-5-[(3-chlorophenyl)sulfanyl]-6-ethyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one | Pyrrolo[2,3-d]pyrimidine analogue, 11 |
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| Type | Small organic molecule |
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| Emp. Form. | C14H13ClN4OS |
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| Mol. Mass. | 320.797 |
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| SMILES | CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cccc(Cl)c1 |
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| Structure | 
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