| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM18490 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_674962 (CHEMBL1272639) |
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| IC50 | 3700±n/a nM |
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| Citation |  Beierlein, JM; Karri, NG; Anderson, AC Targeted mutations of Bacillus anthracis dihydrofolate reductase condense complex structure-activity relationships. J Med Chem53:7327-36 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, 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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| BDBM18490 |
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| n/a |
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| Name | BDBM18490 |
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| Synonyms: | 6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine | JMC517532 Compound 4 | Propargyl-linked, 5 | Propargyl-substituted antifolate, 7 | TMP derivative with propargyl-based linker, 16 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H20N4O3 |
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| Mol. Mass. | 328.3657 |
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| SMILES | COc1cc(CC#Cc2c(C)nc(N)nc2N)cc(OC)c1OC |
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| Structure | 
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