| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM26521 |
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| Substrate/Competitor | BDBM18044 |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| pH | 7±n/a |
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| Temperature | 298.15±n/a K |
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| IC50 | 942±n/a nM |
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| Citation |  Beierlein, JM; Frey, KM; Bolstad, DB; Pelphrey, PM; Joska, TM; Smith, AE; Priestley, ND; Wright, DL; Anderson, AC Synthetic and Crystallographic Studies of a New Inhibitor Series Targeting Bacillus anthracis Dihydrofolate Reductase. J Med Chem51:7532-40 (2008) [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: | Dihydrofolate Reductase (DHFR) | baDHFR |
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| Type: | Enzyme |
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| Mol. Mass.: | 19120.62 |
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| Organism: | Bacillus anthracis |
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| Description: | baDHFR was expressed in E. coli BL21, and purified to homogeneity. |
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| Residue: | 162 |
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| Sequence: | MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRN
IIVTRNEGYHVEGCEVAHSVEEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHA
FEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEKQQ
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| BDBM26521 |
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| BDBM18044 |
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| Name | BDBM26521 |
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| Synonyms: | 6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine | Propargyl inhibitor, 20 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H22N4O3 |
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| Mol. Mass. | 342.3923 |
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| SMILES | CCc1nc(N)nc(N)c1C#CCc1cc(OC)c(OC)c(OC)c1 |
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| Structure | 
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