| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM18257 |
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| Substrate/Competitor | BDBM18044 |
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| Meas. Tech. | Dihydrofolate Reductase (DHFR) 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 | 170±n/a nM |
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| Citation |  Gangjee, A; Zeng, Y; Talreja, T; McGuire, JJ; Kisliuk, RL; Queener, SF Design and Synthesis of Classical and Nonclassical 6-Arylthio-2,4-diamino-5-ethylpyrrolo[2,3-d]pyrimidines as Antifolates. J Med Chem50:3046-3053 (2007) [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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| BDBM18257 |
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| BDBM18044 |
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| Name | BDBM18257 |
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| Synonyms: | 5-ethyl-6-(phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | Pyrrolo[2, 3-d]pyrimidine analogue, 15 |
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| Type | Small organic molecule |
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| Emp. Form. | C14H15N5S |
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| Mol. Mass. | 285.367 |
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| SMILES | CCc1c(Sc2ccccc2)[nH]c2nc(N)nc(N)c12 |
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| Structure | 
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