7TEL

SARS-CoV-2 3CLPro in complex with N-(4-(1H-imidazol-4-yl)phenyl)-N-(3-chloro-5-fluorobenzyl)-2-(isoquinolin-4-yl)acetamide

7TEL の概要

• エントリーDOI: 10.2210/pdb7tel/pdb
• 分子名称: 3C-like proteinase, N-[(3-chloro-5-fluorophenyl)methyl]-N-[4-(1H-imidazol-4-yl)phenyl]-2-(isoquinolin-4-yl)acetamide (3 entities in total)
• 機能のキーワード: inhibitor, complex, protease, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2, COVID-19 virus)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34296.47

構造登録者

Goins, C.M.,Stauffer, S.R. (登録日: 2022-01-05, 公開日: 2023-01-11, 最終更新日: 2023-10-25)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (2.4 Å)