| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM31776 |
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| Substrate/Competitor | BDBM18044 |
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| Meas. Tech. | Thymidylate Synthase (TS) Assay |
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| IC50 | 200±n/a nM |
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| Citation |  Gangjee, A; Li, W; Kisliuk, RL; Cody, V; Pace, J; Piraino, J; Makin, J Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents. J Med Chem52:4892-902 (2009) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Dihydrofolate reductase |
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| Name: | Dihydrofolate reductase |
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| Synonyms: | Bacterial dihydrofolate reductase | DYR_ECOLI | Dihydrofolate Reductase (DHFR) | Tetrahydrofolate dehydrogenase | folA | tmrA |
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| Type: | Enzyme |
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| Mol. Mass.: | 17991.61 |
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| Organism: | Escherichia coli |
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| Description: | E. coli DHFR was expressed in BL21, and purified to homogeneity. |
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| Residue: | 159 |
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| Sequence: | MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNI
ILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVE
GDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR
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| BDBM31776 |
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| BDBM18044 |
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| Name | BDBM31776 |
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| Synonyms: | thieno[2,3-d]pyrimidine deriv., 1 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H18N4O6S2 |
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| Mol. Mass. | 462.499 |
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| SMILES | Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| |
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| Structure | 
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