7LCT

Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability

7LCT の概要

• エントリーDOI: 10.2210/pdb7lct/pdb
• 分子名称: 3C-like proteinase, N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[(1S)-1-phenylethoxy]carbonyl}-L-leucinamide (3 entities in total)
• 機能のキーワード: covid-19, sars-cov-2, 3clpro, coronavirus, main protease, kinetics, sars, viral protein, hydrolase-hydrolase inhibitor complex, hydrolase, 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: 34245.06

構造登録者

Khan, M.B.,Arutyunova, E.,Young, H.S.,Lemieux, M.J. (登録日: 2021-01-11, 公開日: 2021-07-07, 最終更新日: 2023-10-18)

• 主引用文献: Vuong, W.,Fischer, C.,Khan, M.B.,van Belkum, M.J.,Lamer, T.,Willoughby, K.D.,Lu, J.,Arutyunova, E.,Joyce, M.A.,Saffran, H.A.,Shields, J.A.,Young, H.S.,Nieman, J.A.,Tyrrell, D.L.,Lemieux, M.J.,Vederas, J.C.; Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies.; Eur.J.Med.Chem., 222:113584-113584, 2021; PubMed: 34118724; DOI: 10.1016/j.ejmech.2021.113584

実験手法

X-RAY DIFFRACTION (1.93 Å)