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: 38192109DOI: 10.1021/acsinfecdis.3c00565 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.95 Å) |
Structure validation
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