Crystal Structures of Three Classes of Non-Steroidal Anti-Inflammatory Drugs in Complex with Aldo-Keto Reductase 1C3
Figure 3
Molecular structures, systematic names, and IC50 values against AKR1C3 for the N-phenylanthranilic acids (flufenamic acid, meclofenamic acid, mefenamic acid).
Electron density maps (2Fo-Fc omit maps drawn at the 1σ level) are shown for meclofenamic acid and mefenamic acid active sites (see Figures S2A and S2B for larger versions of the maps). The ligands are modelled at full occupancy. Figures drawn using ChemBioDraw Ultra 12.0 (CambridgeSoft) and Pymol v1.3 incentive (Schrödinger, LLC). IC50 values taken from Byrnes and Penning, 2009 [32].