The prepared protein structures were downloaded from the DUD-E website and processed for Glide through the Schrödinger Protein Preparation Wizard using the default settings (Schrödinger Suite 2023-4). A Glide docking grid was generated using the cocrystallized ligand as the center of the grid, with no additional docking settings specified for GlideSP docking. Redocking was done by first converting SMILES to 3D, using LigPrep, and then docking the generated conformers (only the highest docking scored pose was considered for each compound). Root mean square deviation (RMSD) between the heavy atoms of docked pose and co-crystallized ligand coordinates was calculated using Schrödinger Maestro. Additionally, redocked poses were visually inspected to make sure that they were in line with the experimental evidence. Property filtering criteria for the retrieved compounds from the non-enumerated chemical spaces was set to the same Lipinski rules as with Enamine REAL, and controlled using descriptors calculated with RDKit (molecular weight 0.0 -500.0, SlogP -10.0 - 5.0, number of hydrogen bond acceptors 0 -10, number of hydrogen donors 0 -5, number of rotatable bonds 0 -10 and TPSA 0.0 -140.0).