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. 2020 Apr 12;35:101646. doi: 10.1016/j.tmaid.2020.101646

Table 2.

Highest scoring molecules for SARS-CoV-2 3CLPRO Main Protease.

Site # DrugBank ID Docking Score (kcal/mol) Name Indication
1 DB00157 −11.016 Dpnh (NADH) Supplement Mental Health
1 DB00558 −8.843 Zanamivir Antiviral Drug
1 DB00188 −8.654 Bortezomib Anti-Cancer
1 DB01232 −7.285 Saquinavir HIV Protease Inhibitor
2 DB03147 −10.339 Flavin Adenine Dinucleotide (FAD) Adeflavin B2 Deficiency
2 DB06441 −10.269 Cangrelor P2Y12 Inhibitor
2 DB08889 −8.924 Carfilzomib Anti-Cancer
2 DB00224 −8.199 Indinavir HIV Protease Inhibitor
2 DB14761 −7.215 Remdesivir Antiviral