Summary information and primary citation

5iwi; DSSR-derived features in text and JSON formats
X-ray (1.98 Å)
1.98a structure of gsk945237 with s.aureus DNA gyrase and singly nicked DNA
Miles TJ, Hennessy AJ, Bax B, Brooks G, Brown BS, Brown P, Cailleau N, Chen D, Dabbs S, Davies DT, Esken JM, Giordano I, Hoover JL, Jones GE, Kusalakumari Sukmar SK, Markwell RE, Minthorn EA, Rittenhouse S, Gwynn MN, Pearson ND (2016): "Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases." Bioorg.Med.Chem.Lett., 26, 2464-2469. doi: 10.1016/j.bmcl.2016.03.106.
During the course of our research on the lead optimisation of the NBTI (Novel Bacterial Type II Topoisomerase Inhibitors) class of antibacterials, we discovered a series of tricyclic compounds that showed good Gram-positive and Gram-negative potency. Herein we will discuss the various subunits that were investigated in this series and report advanced studies on compound 1 (GSK945237) which demonstrates good PK and in vivo efficacy properties.

Cartoon-block schematics in six views (download the tarball)

PyMOL session file Download PDB file View in 3Dmol.js