Figure 7.

Representation of the carboxylate group of the parent scaffold of inhibitors 3 and 4. (A): Inhibitor 3 (6TUF) in light blue. The red arrows indicate the likely positions of the additional water molecule O1b and the second conformation of the acetic acid moiety in the complex with 3. (B): Inhibitor 4 (6TUC) in blue in complex with ALR-2. To distinguish the conformations, b is highlighted by a slightly darker color. Interactions are indicated as black lines. The difference electron density map (F_O − F_C) is depicted as red and green meshes at the 3σ level. The 2F_O − F_C density is depicted as blue mesh at the 1σ level.