Skip to main content
. 2022 May 4;12(21):13500–13510. doi: 10.1039/d2ra01057g

Molecular docking score.

Drugbank ID Generic name S (kcal mol−1) Hydrogen bond π–π interaction
BMS309403 −7.704 Arg126, Tyr128 Phe16, Pro38
DB05239 Cobimetinib −6.931 Arg126, Tyr128, Arg106
DB14723 Larotrectinib −6.868 Arg126, Tyr128 Ile104
DB00213 Pantoprazole −6.791 Tyr128 Phe16
DB04876 Vildagliptin −6.416 Arg126, Tyr128, Ala75