Reaction Details | |||
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Target | Dihydrofolate reductase | ||
Ligand | BDBM50448744 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1298221 (CHEMBL3130226) | ||
Ki | 0.011000±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: |
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BDBM50448744 | |||
n/a | |||
Name | BDBM50448744 | ||
Synonyms: | CHEMBL3128014 | US8835445, 25 | US8835445, 34 | ||
Type | Small organic molecule | ||
Emp. Form. | C20H16ClN7S | ||
Mol. Mass. | 421.906 | ||
SMILES | Cc1cc2nc(-c3nccs3)n(-c3cc4nc(N)nc(N)c4cc3Cl)c2cc1C |(17.33,-13.36,;17.81,-11.9,;16.79,-10.75,;17.27,-9.29,;16.5,-7.97,;17.53,-6.82,;17.22,-5.31,;18.26,-4.16,;17.49,-2.82,;15.98,-3.13,;15.81,-4.67,;18.94,-7.45,;20.27,-6.69,;21.61,-7.46,;22.94,-6.68,;24.27,-7.44,;25.61,-6.67,;26.95,-7.44,;25.6,-5.12,;24.26,-4.36,;24.26,-2.82,;22.94,-5.13,;21.6,-4.37,;20.27,-5.14,;19.49,-3.8,;18.78,-8.98,;19.8,-10.12,;19.32,-11.58,;20.35,-12.72,)| | ||
Structure |