7VTH
The crystal structure of SARS-CoV-2 3CL protease in complex with compound 1
Summary for 7VTH
Entry DOI | 10.2210/pdb7vth/pdb |
Descriptor | 3C-like proteinase, 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide (3 entities in total) |
Functional Keywords | viral protein-inhibitor complex, viral protein/inhibitor |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2) |
Total number of polymer chains | 2 |
Total formula weight | 69845.46 |
Authors | Yamamoto, S.,Tachibana, Y. (deposition date: 2021-10-29, release date: 2022-04-06, Last modification date: 2023-11-29) |
Primary citation | Unoh, 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: 35352927DOI: 10.1021/acs.jmedchem.2c00117 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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