| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM18050 |
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| Substrate/Competitor | BDBM18044 |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| pH | 7.1±n/a |
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| Temperature | 295.15±n/a K |
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| IC50 | 15±n/a nM |
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| Citation |  Bennett, BC; Xu, H; Simmerman, RF; Lee, RE; Dealwis, CG Crystal Structure of the Anthrax Drug Target, Bacillus anthracis Dihydrofolate Reductase. J Med Chem50:4374-81 (2007) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, 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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| BDBM18050 |
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| BDBM18044 |
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| Name | BDBM18050 |
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| Synonyms: | 2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid | CHEMBL34259 | MTX | Methotrexate | cid_126941 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H22N8O5 |
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| Mol. Mass. | 454.4393 |
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| SMILES | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| |
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| Structure | 
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