8Y42
 
 | | Crystal structure of SARS-CoV-2 3CL protease (3CLpro) in complex with compound 51 | | Descriptor: | 3C-like proteinase nsp5, ~{N}-[(1~{S},2~{R})-2-[[4-cyclopropyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]-2-oxidanylidene-1~{H}-quinoline-4-carboxamide | | Authors: | Nie, T.Q, Su, H.X, Li, M.J, Xu, Y.C. | | Deposit date: | 2024-01-30 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of Novel Nonpeptidic and Noncovalent Small Molecule 3CL pro Inhibitors as anti-SARS-CoV-2 Drug Candidate.
J.Med.Chem., 67, 2024
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8Y44
 | | Crystal structure of SARS-CoV-2 3CL protease (3CLpro) in complex with compound 44 | | Descriptor: | 3C-like proteinase nsp5, ~{N}-[(1~{S},2~{R})-2-[(4-bromanyl-2-morpholin-4-ylcarbonyl-6-nitro-phenyl)amino]cyclohexyl]-2-oxidanylidene-1~{H}-quinoline-4-carboxamide | | Authors: | Nie, T.Q, Su, H.X, Li, M.J, Xu, Y.C. | | Deposit date: | 2024-01-30 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Discovery of Novel Nonpeptidic and Noncovalent Small Molecule 3CL pro Inhibitors as anti-SARS-CoV-2 Drug Candidate.
J.Med.Chem., 67, 2024
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