Virtual Screen 12
Protein index: 6
Protein name: nsp3-PLpro
Alternative protein names: PLpro, PLP, papain-like protease
Target site: Active site
Used structure: 6w9c
Compounds screened: >1B (Enamine REAL database), >10 million (ZINC 15 in-stock compounds)
Resources
- Interactive table with top 1000 hits, including docking poses
- Top 1 million hits (i.e. the top ~0.1 % of the virtual hits)
This file is a csv file, which can be opened with any text editor or with DataWarrior.
Please note that this list is completely unfiltered, and needs to be postprocessed (e.g. it can contain undruglike compounds from the ZINC library at the to of the ranking).
Virtual Screen 15
Protein index: 1
Protein name: ACE2
Alternative protein names: Angiotensin-converting enzyme 2
Target site: Active site and accessory pocket (connected via a tunnel)
Used structure: 6wx4
Compounds screened: >1B (Enamine REAL database) , >10 million (ZINC 15 in-stock compounds)
Resources
- Interactive table with top 1000 hits, including docking poses
- Top 1 million hits (i.e. the top ~0.1 % of the virtual hits)
This file is a csv file, which can be opened with any text editor or with DataWarrior.
Please note that this list is completely unfiltered, and needs to be postprocessed (e.g. it can contain undruglike compounds from the ZINC library at the to of the ranking).