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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dihydrofolate reductase | ||
| Ligand | BDBM50351177 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_764179 (CHEMBL1821390) | ||
| Ki | 0.61±n/a nM | ||
| Citation |  Li, X; Hilgers, M; Cunningham, M; Chen, Z; Trzoss, M; Zhang, J; Kohnen, L; Lam, T; Creighton, C; G C, K; Nelson, K; Kwan, B; Stidham, M; Brown-Driver, V; Shaw, KJ; Finn, J Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg Med Chem Lett21:5171-6 (2011) [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: |
| ||
| BDBM50351177 | |||
| n/a | |||
| Name | BDBM50351177 | ||
| Synonyms: | CHEMBL1818125 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C19H19N5O | ||
| Mol. Mass. | 333.3871 | ||
| SMILES | CCOc1ccc2[nH]ccc2c1-c1cc2nc(N)nc(N)c2cc1C |(1.91,-3.46,;.57,-2.69,;-.76,-3.47,;-2.09,-2.7,;-3.42,-3.47,;-4.76,-2.7,;-4.76,-1.16,;-5.91,-.13,;-5.29,1.28,;-3.76,1.12,;-3.43,-.38,;-2.09,-1.16,;-.76,-.39,;.57,-1.17,;1.9,-.39,;3.24,-1.15,;4.57,-.38,;5.91,-1.14,;4.56,1.17,;3.23,1.93,;3.22,3.47,;1.9,1.16,;.57,1.92,;-.76,1.15,;-2.1,1.92,)| | ||
| Structure | 
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