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DiamondCoronavirusDataset

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A group of researchers including Dave Stuart, Martin Walsh, and Frank von Delft (Diamond Light Source) has performed a fragment screen against crystals of the main protease (MPro) of SARS-CoV-2, the virus that causes COVID-19. Even before fully analyzing all of the data they have released interim results https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html

The hits can be viewed on fraglaysis here.

Chris Swain downloaded all the structures to date, both those that bind and those where no binding was observed and put them into a single file, he also added inChiKey, SMILES, PubChem ID, PDB ID of ligand if known and a range of other identifiers from different databases, available here http://cambridgemedchemconsulting.com/news/files/Archive.zip.

corvidfrags