Figure 2.

Initial hit fragments that form a covalent bond with Lys122 of 14‐3‐3. A) Overview of compounds binding to Lys122. For details on 2 and 3 see Figure S3. B) The electron density map (grey mesh contoured at 1σ) for 1 (yellow sticks, spheres) binding at the interface of p65 (red) and 14‐3‐3 (white). The p65/14‐3‐3 complex is represented as either a van der Waals surface (middle) or sticks and spheres (close‐up). Water molecule: red sphere; hydrogens bonds: yellow dashed.