Predicting the docking conformation of a ligand in the protein binding site (pocket), i.e., protein–ligand docking, is crucial for drug discovery. Traditional docking methods have a long inference tim
Protein kinase inhibition profile for 1. Compound 1 was tested against a panel of 342 kinases at a single dose concentration of 20 μM. Columns labeled 'Data 1' and 'Data 2' indicate data from technica
Number of active compounds (N) detected in each screen for total number detected (unfiltered), number after drug like filtering (filtered.drug-like), hits from the LOPAC and Kinase libraries, and the
