9WHE

A novel, covalent and highly synthetically accessible SARS-CoV-2 Mpro chloroacetamide inhibitor

This is a non-PDB format compatible entry.

Summary for 9WHE

• Entry DOI: 10.2210/pdb9whe/pdb
• Descriptor: 3C-like proteinase, (2~{R})-~{N}-[4,4-bis(fluoranyl)cyclohexyl]-2-[ethanoyl-[4-(1,2-thiazol-5-yl)phenyl]amino]-2-pyrazin-2-yl-ethanamide, ACETATE ION, ... (5 entities in total)
• Functional Keywords: inhibitor, complex, antiviral, covalent, hydrolase
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 35034.87

Authors

Zagribelnyy, B.,Zhavoronkov, A. (deposition date: 2025-08-26, release date: 2025-09-17, Last modification date: 2025-10-15)

• Primary citation: Zagribelnyy, B.,Zhavoronkov, A.; A novel, covalent and highly synthetically accessible SARS-CoV-2 Mpro chloroacetamide inhibitor; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.82 Å)