Figure 1
(a) Position of IDD594 in the binding pocket of hAR. The 2Fo − Fc electron density of the inhibitor is displayed at 2σ in blue. (b) Difference density around the bromine substituent of IDD594, showing a negative peak at the center of the Br atom (red). This indicated incomplete occupancy and was the starting point for further investigations. The Fo − Fc difference electron density is displayed at 2σ. |