. 2022 Aug 26;7(36):32805–32815. doi: 10.1021/acsomega.2c04819

Table 1. Interactions of the Best Poses of Each Ligand after Induced Fit Docking inside RTA^a.

Residues of the catalytic site are shown in red, while the ones of the secondary pocket are shown in blue. D = donor to side chain; A = Acceptor from sidechain; I = Ionic attraction; d = donor to backbone; a = acceptor from backbone; and R = Arene attraction.

Table 1. Interactions of the Best Poses of Each Ligand after Induced Fit Docking inside RTAa.

Table 1. Interactions of the Best Poses of Each Ligand after Induced Fit Docking inside RTA^a.