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

Table 2.

Docking scores of the compounds binding to the allosteric site.

Name Drugbank ID F Binding Energy (kcal/mol)
Raltegravir DB06817 0.1054 −7.9
Rolitetracycline DB01301 0.4414 −7.6
Tolvaptan DB06212 0.1054 −7.3
Ciclesonide DB01410 0.1054 −7.2
Rescinnamine DB01180 0.4414 −7.2
Spectinomycin DB00919 0.1054 −6.8
Cefotiam DB00229 0.1054 −6.6
Azatadine DB00719 0.1054 −6.5
Flecainide DB01195 0.1054 −6.2
Pivmecillinam DB01605 0.1054 −6.2
Voriconazole DB00582 0.1054 −6.1
Ambenonium DB01122 0.1054 −5.9
Amitriptyline DB00321 0.1054 −5.9
Azapropazone DB07402 0.1054 −5.8
Miconazole DB01110 0.1054 −5.8
Clofedanol DB04837 0.1054 −5.7
Flutamide DB00499 0.1054 −5.7
Leflunomide DB01097 0.1054 −5.7
Tobramycin DB00684 0.1054 −5.7
Clevidipine DB04920 0.1054 −5.6
Imipramine DB00458 0.1054 −5.6
Kanamycin DB01172 0.1054 −5.6
Ciclopirox DB01188 0.1054 −5.5
Oseltamivir DB00198 0.1054 −5.5
Ospemifene DB04938 0.1054 −5.5
Trimipramine DB00726 0.1054 −5.5
Ebselen DB12610 0.1054 −5.3
Bepridil DB01244 0.1054 −5.1
Ethinamate DB01031 0.1054 −4.9
Propylthiouracil DB00550 0.1054 −4.5
l−Arginine DB00125 0.1054 −4.4
Isoflurophate DB00677 0.1054 −4.2
Ethanolamine Oleate DB06689 0.1054 −4.1
l−Carnitine DB00583 0.1054 −4.1
l−Lysine DB00123 0.1054 −4.0
Methoxyflurane DB01028 0.1054 −3.6