Reaction Details |
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Target | Dihydrofolate reductase |
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Ligand | BDBM25818 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_674962 (CHEMBL1272639) |
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IC50 | 7900±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 |
Synonyms: | Dihydrofolate Reductase (DHFR) | baDHFR |
Type: | Enzyme |
Mol. Mass.: | 19120.62 |
Organism: | Bacillus anthracis |
Description: | baDHFR was expressed in E. coli BL21, and purified to homogeneity. |
Residue: | 162 |
Sequence: | MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRN
IIVTRNEGYHVEGCEVAHSVEEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHA
FEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEKQQ
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BDBM25818 |
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n/a |
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Name | BDBM25818 |
Synonyms: | 5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | Biphenyl antifolate, 4 | propargyl-based inhibitor, 10a (+/-) |
Type | Small organic molecule |
Emp. Form. | C22H22N4O |
Mol. Mass. | 358.4363 |
SMILES | COc1cc(cc(c1)-c1ccccc1)C(C)C#Cc1c(C)nc(N)nc1N |
Structure |
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