8TPF

Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease

Summary for 8TPF

Entry DOI	10.2210/pdb8tpf/pdb
Descriptor	Non-structural protein 7, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxypropanamide (3 entities in total)
Functional Keywords	non-peptidic inhibitors, inhibitors, sars-cov-2, main protease, mpro, viral protein, viral protein-inhibitor complex, viral protein/inhibitor
Biological source	Severe acute respiratory syndrome coronavirus (2019-nCoV, SARS-CoV-2)
Total number of polymer chains	1
Total formula weight	34134.99
Authors	Chua, T.K.,Song, Y. (deposition date: 2023-08-04, release date: 2024-01-24, Last modification date: 2024-02-21)
Primary citation	Ashraf-Uz-Zaman, M.,Chua, T.K.,Li, X.,Yao, Y.,Moku, B.K.,Mishra, C.B.,Avadhanula, V.,Piedra, P.A.,Song, Y. Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10:715-731, 2024 Cited by PubMed: 38192109 DOI: 10.1021/acsinfecdis.3c00565 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.95 Å)

Structure validation