7TEK

SARS-CoV-2 3CLPro in complex with N-(4-(1H-pyrazol-4-yl)phenyl)-N-(3-chlorobenzyl)-2-(pyridin-3-yl)acetamide

Summary for 7TEK

• Entry DOI: 10.2210/pdb7tek/pdb
• Descriptor: 3C-like proteinase, N-[(3-chlorophenyl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]-2-(pyridin-3-yl)acetamide (3 entities in total)
• Functional Keywords: inhibitor, complex, protease, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2, COVID-19 virus)
• Total number of polymer chains: 1
• Total formula weight: 34228.42

Authors

Goins, C.M.,Stauffer, S.R. (deposition date: 2022-01-05, release date: 2023-01-11, Last modification date: 2023-10-25)

• Primary citation: Hooper, A.,Macdonald, J.D.,Reilly, B.,Maw, J.,Wirrick, A.P.,Han, S.H.,Lindsey, A.A.,Rico, E.G.,Romigh, T.,Goins, C.M.,Wang, N.S.,Stauffer, S.R.; SARS-CoV-2 3CL-protease inhibitors derived from ML300: investigation of P1 and replacements of the 1,2,3-benzotriazole; Med.Chem.Res., 2023; DOI: 10.1007/s00044-023-03108-9

Experimental method

X-RAY DIFFRACTION (2.2 Å)