The SARS-CoV-2 RNA uridylate‐specific endoribonuclease (non-structural protein 15, NSP15, NSP15/NendoU) is essential in coronavirus biology. It has an RNA endonuclease activity producing 2′‐3′ cyclic phosphodiester and 5′‐hydroxyl termini. Identification of small compounds that specifically target NSP15 is promising for antiviral drug discovery.

We offer SARS-CoV-2 Endoribonuclease (NSP15) Targeted Library, which contains 618 compounds with predicted activity against this enzyme. The library has been designed with receptor-based virtual screening using crystal structure (PDB ID: 6VWW) of SARS-CoV-2 NSP15. The overall procedure included accurate flexible docking of Drug-like Green Collection into endonuclease active site. Final selection of compounds was made with inspection of enzyme active site’s crucial structural determinants for ligand binding, docking scores and intermolecular hydrogen bonds with key active site’s amino acid residues.

Example of complexes of ligands with NSP15,
obtained by molecular docking

The designed SARS-CoV-2 Endoribonuclease Targeted Library comprises only drug-like compounds (PAINS compounds are filtered off). The library is intended for screening projects to find new compounds with activity against SARS-CoV-2.

The summary of the SARS-CoV-2 Endoribonuclease Targeted Library characteristics (average values):

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