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. 2020 Aug 23;25(17):3830. doi: 10.3390/molecules25173830

Table 1.

Docking scores of the compounds binding to the catalytic site.

Name Drugbank ID F Binding Energy (kcal/mol)
Mezlocillin DB00948 0.1923 −8.6
Camazepam DB01489 0.1923 −7.5
Spirapril DB01348 0.1923 −7.1
Bacampicillin DB01602 0.1923 −6.8
Bacitracin DB00626 0.3183 −6.6
Carbinoxamine DB00748 0.3183 −6.6
Paromomycin DB01421 0.1923 −6.5
Nifedipine DB01115 0.1923 −6.3
Gemfibrozil DB01241 0.1923 −5.9
Trimethaphan DB01116 0.1923 −5.6
Phensuximide DB00832 0.3183 −5.6
Nitrendipine DB01054 0.1923 −5.4
Paliperidone DB01267 0.1923 −5.4
Levetiracetam DB01202 0.1923 −5.2
Chlorambucil DB00291 0.1923 −5.2
Vitamin C DB00126 0.1923 −5.1
Tizanidine DB00697 0.1923 −5.0
Ifosfamide DB01181 0.1923 −4.9
Aminophenazone DB01424 0.1923 −4.6
Mecamylamine DB00657 0.1923 −4.3
Tazarotene DB00799 0.1923 −4.1