Journal of chemical information and modelingAcrylamidesErbB ReceptorsAniline CompoundsProtein Kinase InhibitorsProtons
Osimertinib's Proton-Catalyzed, Pseudoconcerted EGFR Inhibition Guides Next-Generation Inhibitor Design.
Akihiro Kondo, Kazuhiro J Fujimoto, Shin-Ichi Koda, Shinji Saito, Takeshi Yanai
Published: 202610.1021/acs.jcim.5c02787
Abstract
Third-generation inhibitors such as osimertinib irreversibly inhibit the epidermal growth factor receptor tyrosine kinase (EGFR-TK) via Michael addition to Cys797, yet the mechanism of covalent bond formation remains unsettled. Here, density function…
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