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7VU6

The crystal structure of SARS-CoV-2 3CL protease in complex with compound 3

Summary for 7VU6
Entry DOI10.2210/pdb7vu6/pdb
Descriptor3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione (3 entities in total)
Functional Keywordsviral protein-inhibito complex, viral protein-inhibitor complex, viral protein/inhibitor
Biological sourceSevere acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
Total number of polymer chains2
Total formula weight69003.11
Authors
Yamamoto, S.,Yamane, J.,Tachibana, Y. (deposition date: 2021-11-01, release date: 2022-04-06, Last modification date: 2023-11-29)
Primary citationUnoh, Y.,Uehara, S.,Nakahara, K.,Nobori, H.,Yamatsu, Y.,Yamamoto, S.,Maruyama, Y.,Taoda, Y.,Kasamatsu, K.,Suto, T.,Kouki, K.,Nakahashi, A.,Kawashima, S.,Sanaki, T.,Toba, S.,Uemura, K.,Mizutare, T.,Ando, S.,Sasaki, M.,Orba, Y.,Sawa, H.,Sato, A.,Sato, T.,Kato, T.,Tachibana, Y.
Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19.
J.Med.Chem., 65:6499-6512, 2022
Cited by
PubMed: 35352927
DOI: 10.1021/acs.jmedchem.2c00117
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.8 Å)
Structure validation

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