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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dihydrofolate reductase | ||
| Ligand | BDBM50448743 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1298221 (CHEMBL3130226) | ||
| Ki | 0.010000±n/a nM | ||
| Citation |  Lam, T; Hilgers, MT; Cunningham, ML; Kwan, BP; Nelson, KJ; Brown-Driver, V; Ong, V; Trzoss, M; Hough, G; Shaw, KJ; Finn, J Structure-based design of new dihydrofolate reductase antibacterial agents: 7-(benzimidazol-1-yl)-2,4-diaminoquinazolines. J Med Chem57:651-68 (2014) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Dihydrofolate reductase | |||
| Name: | Dihydrofolate reductase | ||
| Synonyms: | DYR_STAAU | Dihydrofolate Reductase (DHFR) | Dihydrofolate reductase | Dihydrofolate reductase (DfrB) | Tetrahydrofolate dehydrogenase | folA | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 18249.71 | ||
| Organism: | Staphylococcus aureus | ||
| Description: | n/a | ||
| Residue: | 159 | ||
| Sequence: |
| ||
| BDBM50448743 | |||
| n/a | |||
| Name | BDBM50448743 | ||
| Synonyms: | CHEMBL3128015 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H17ClN6S | ||
| Mol. Mass. | 420.918 | ||
| SMILES | Cc1cc2nc(-c3cccs3)n(-c3cc4nc(N)nc(N)c4cc3Cl)c2cc1C |(30.8,-13.77,;31.28,-12.3,;30.26,-11.15,;30.74,-9.7,;29.97,-8.37,;31,-7.23,;30.69,-5.71,;31.73,-4.57,;30.96,-3.22,;29.45,-3.54,;29.28,-5.08,;32.41,-7.85,;33.74,-7.09,;35.08,-7.86,;36.41,-7.08,;37.74,-7.85,;39.08,-7.07,;40.42,-7.84,;39.07,-5.53,;37.73,-4.77,;37.73,-3.23,;36.41,-5.54,;35.07,-4.77,;33.74,-5.55,;32.96,-4.2,;32.25,-9.38,;33.27,-10.52,;32.79,-11.98,;33.82,-13.13,)| | ||
| Structure | 
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