Coordinates of docked compounds from manuscript "Azapeptide activity-based probes for the SARS-CoV-2 main protease enable visualization of inhibition in infected cells" KU Leuven
Files contain coordinates of docked compounds 7b and 7d. The compounds were docked in the active site of the SARS-CoV-2 main protease with PDB code 6LZE. For the most informative visualization of the interactions of the azapeptide probes 7b and 7d, open the 6ZLE structure as well as one of the docked compounds in a PDB viewer, such as PyMol or Swiss PDB viewer.