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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | DNA gyrase subunit A/B | ||
| Ligand | BDBM50254141 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_958305 (CHEMBL2382449) | ||
| IC50 | 2930±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: |
| ||
| BDBM50254141 | |||
| n/a | |||
| Name | BDBM50254141 | ||
| Synonyms: | CHEMBL2382343 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C29H32F2N2O4 | ||
| Mol. Mass. | 510.5722 | ||
| SMILES | COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3c(F)cccc3F)c2c1 |r,wU:10.10,14.13,19.20,(13.85,-11.9,;15.18,-11.13,;16.52,-11.9,;16.52,-13.44,;17.85,-14.22,;19.18,-13.44,;20.52,-14.2,;21.85,-13.43,;21.84,-11.88,;20.51,-11.12,;20.5,-9.58,;19.16,-8.82,;21.83,-8.8,;23.17,-9.57,;24.5,-8.79,;25.83,-9.56,;27.16,-8.79,;27.16,-7.25,;25.82,-6.48,;24.48,-7.26,;23.14,-6.49,;21.81,-7.27,;23.14,-4.95,;28.49,-6.48,;29.98,-6.85,;30.37,-5.35,;28.91,-4.97,;31.69,-4.57,;31.68,-3.04,;30.34,-2.28,;33,-2.26,;34.35,-3.02,;34.36,-4.56,;33.03,-5.34,;33.04,-6.88,;19.18,-11.89,;17.85,-11.13,)| | ||
| Structure | 
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