Structure of compound 1 bound to SARS-CoV-2 main protease

Structure of compound 1 bound to SARS-CoV-2 main protease Descriptor: (5~{R})-4-[(4-bromanyl-2-ethyl-phenyl)methyl]-1-(5-chloranylpyridin-3-yl)carbonyl-~{N}-ethyl-1,4-diazepane-5-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ... Authors: Mac Sweeney, A, Hazemann, J. Deposit date: 2024-11-04 Release date: 2025-03-05 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.276 Å) Cite: Accelerating the Hit-To-Lead Optimization of a SARS-CoV-2 Mpro Inhibitor Series by Combining High-Throughput Medicinal Chemistry and Computational Simulations. J.Med.Chem., 68, 2025