Reaction Details | |||
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Target | Dihydrofolate reductase | ||
Ligand | BDBM50448741 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1298221 (CHEMBL3130226) | ||
Ki | 0.019000±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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BDBM50448741 | |||
n/a | |||
Name | BDBM50448741 | ||
Synonyms: | CHEMBL3128017 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H19N7O2S | ||
Mol. Mass. | 433.486 | ||
SMILES | COc1cc2nc(-c3nccs3)n(-c3cc4nc(N)nc(N)c4cc3C)c2cc1OC |(1.21,-27.45,;2.72,-27.14,;3.2,-25.67,;2.17,-24.52,;2.65,-23.07,;1.89,-21.74,;2.92,-20.6,;2.6,-19.08,;3.65,-17.94,;2.88,-16.59,;1.36,-16.91,;1.2,-18.45,;4.32,-21.22,;5.66,-20.46,;6.99,-21.23,;8.33,-20.45,;9.66,-21.22,;11,-20.44,;12.33,-21.21,;10.99,-18.9,;9.65,-18.14,;9.64,-16.6,;8.32,-18.91,;6.99,-18.14,;5.66,-18.92,;4.88,-17.57,;4.16,-22.75,;5.18,-23.89,;4.71,-25.35,;5.74,-26.5,;5.26,-27.96,)| | ||
Structure |