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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | DNA gyrase subunit A/B | ||
| Ligand | BDBM50491343 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_958305 (CHEMBL2382449) | ||
| IC50 | 2400±n/a nM | ||
| Citation |  Mitton-Fry, MJ; Brickner, SJ; Hamel, JC; Brennan, L; Casavant, JM; Chen, M; Chen, T; Ding, X; Driscoll, J; Hardink, J; Hoang, T; Hua, E; Huband, MD; Maloney, M; Marfat, A; McCurdy, SP; McLeod, D; Plotkin, M; Reilly, U; Robinson, S; Schafer, J; Shepard, RM; Smith, JF; Stone, GG; Subramanyam, C; Yoon, K; Yuan, W; Zaniewski, RP; Zook, C Novel quinoline derivatives as inhibitors of bacterial DNA gyrase and topoisomerase IV. Bioorg Med Chem Lett23:2955-61 (2013) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| DNA gyrase subunit A/B | |||
| Name: | DNA gyrase subunit A/B | ||
| Synonyms: | DNA Gyrase | ||
| Type: | A2B2 tetramer | ||
| Mol. Mass.: | n/a | ||
| Description: | n/a | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | DNA gyrase subunit A | ||
| Synonyms: | DNA gyrase subunit A (gyrA) | GYRA_STAAU | gyrA | ||
| Type: | Enzyme Subunit | ||
| Mol. Mass.: | 99588.82 | ||
| Organism: | Staphylococcus aureus | ||
| Description: | n/a | ||
| Residue: | 889 | ||
| Sequence: |
| ||
| Component 2 | |||
| Name: | DNA gyrase subunit B | ||
| Synonyms: | DNA gyrase | DNA gyrase subunit B (DNA gyraseB) | DNA gyrase subunit B (gyrB) | GYRB_STAAU | gyrB | ||
| Type: | Enzyme Subunit | ||
| Mol. Mass.: | 72530.91 | ||
| Organism: | Staphylococcus aureus | ||
| Description: | n/a | ||
| Residue: | 644 | ||
| Sequence: |
| ||
| BDBM50491343 | |||
| n/a | |||
| Name | BDBM50491343 | ||
| Synonyms: | CHEMBL2382355 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C29H32ClFN2O4 | ||
| Mol. Mass. | 527.027 | ||
| SMILES | COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cccc(Cl)c3F)c2c1 |r,wU:10.10,14.13,19.20,(14.88,-27.49,;16.22,-26.72,;17.55,-27.49,;17.55,-29.04,;18.88,-29.81,;20.22,-29.03,;21.55,-29.8,;22.89,-29.02,;22.88,-27.47,;21.54,-26.71,;21.53,-25.17,;20.2,-24.41,;22.86,-24.4,;24.2,-25.16,;25.53,-24.38,;26.87,-25.15,;28.19,-24.38,;28.19,-22.84,;26.85,-22.08,;25.52,-22.85,;24.18,-22.09,;22.85,-22.86,;24.17,-20.55,;29.52,-22.07,;31.01,-22.45,;31.4,-20.94,;29.94,-20.56,;32.73,-20.17,;34.07,-20.93,;35.39,-20.15,;35.38,-18.61,;34.03,-17.85,;34.02,-16.31,;32.71,-18.63,;31.37,-17.88,;20.22,-27.49,;18.88,-26.72,)| | ||
| Structure | 
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