Virtual Screen 8
Protein index: 3
Protein name: Spike
Alternative protein names: S-protein, S
Target site: Spike HR1 domain (HR2 binding interface)
Used structure: 6lxt
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) in DataWarrior format
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).