Figure 1. DNA-encoded combinatorial library plan.
The library synthesis reaction sequence consisted of three acylations, enumerated as diversification positions Pos1 (green), Pos2 (orange), and Pos3 (purple). The BB set included carboxylic acids (Xi, amino acids and haloacids) for diversifying the main chain scaffold and amines (Ai) for diversifying the intervening amide via displacement of the haloacids. Pos1 diversity included 10 amino acids, 3 haloacids, and 20 amines. Pos2 and Pos3 diversity included 4 haloacids and 20 amines. If a BB was used at a given position, its indicator (upper right) is filled with the appropriate color.