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. 2019 May 30;15(6):394–401. doi: 10.6026/97320630015394

Table 3. Lowest binding energy for the Ligands-NS5 Methyltranfersaeinteraction, along with scores for various interaction types, as detected by GLIDE.

Compounds ID GScore Lipophilic E vdw H-bond Electro Protein ligands interaction
STOCK1N-98943 -8.24 -5.24 -1.27 -0.47 ArgA:57, LysA:60, LysA:104, HisA:109, AspA:145, GlyA:147 and ArgA:211
STOCK1N-98872 -7.41 -3.39 -1.92 -0.43 CysA:81, TrpA:86 and ArgA:211
STOCK1N-98956 -6.95 -4.8 -0.7 -0.48 LysA:60 and LysA:104,
STOCK1N-98865 -6.73 -4.9 -0.7 -0.49 TrpA:86, LysA:104 and IleA:146
STOCK1N-98950 -6.52 -3.07 -0.88 -0.46 ArgA:57, AspA:145, GlyA:147 and ArgA:211
Known Inhibitor
Chloroquine -5.24 -4.43 -1.97 -0.93 AspA:78, CysA:81, TrpA:86, LysA:104, AspA:145 and IleA:146