9NME

SARS-CoV-2 3CLPro in complex with 2-[2-hydroxy-3-(4-isoquinolyl)-4-oxo-6-(trifluoromethyl)-1H-quinolin-8-yl]benzonitrile

This is a non-PDB format compatible entry.

Summary for 9NME

• Entry DOI: 10.2210/pdb9nme/pdb
• Descriptor: Glutathione S-transferase class-mu 26 kDa isozyme,Replicase polyprotein 1ab, (2M)-2-[(3P)-2-hydroxy-3-(isoquinolin-4-yl)-4-oxo-6-(trifluoromethyl)-1,4-dihydroquinolin-8-yl]benzonitrile (3 entities in total)
• Functional Keywords: protease, inhibitor, viral protein, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2; More
• Total number of polymer chains: 1
• Total formula weight: 62537.53

Authors

Goins, C.M.,Stauffer, S.R. (deposition date: 2025-03-04, release date: 2026-03-18)

• Primary citation: Goins, C.M.,Stauffer, S.R.,Rodzinak, K.; Structure Based Design of non-covalent, non-peptidic inhibitors of SARS-CoV-2 Main Protease; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.6 Å)