Skip to main content
. 2009 Oct 5;58(1):91–101. doi: 10.1111/j.1574-695X.2009.00619.x

Table 2.

 The results of docking of identified hits to JEV NS3 helicase/NTPase binding site and consensus scoring

Compound
number Compound name Total score Crash Polar D score PMF
score G score Chem
score C score Consensus
score
10 ZINC01590677 4.68 −1.1 0.92 −80.17 −7.68 −153.84 −7.25 3 10.08
16 ZINC05344670 2.96 −2.43 3.82 −94.35 −4.76 −167.68 −6.30 4 8.24
14 ZINC04887000 3.38 −0.51 3.35 −66.81 −16.73 −95.15 −3.54 2 8.57
11 ZINC11756980 4.71 −1.90 4.28 −50.20 29.06 −167.47 −8.62 2 9.60
12 ZINC10674215 4.87 −1.02 5.19 −77.62 17.34 −111.27 −3.64 1 9.54
8 ZINC07570349 6.04 −2.46 3.01 −101.79 18.98 −212.43 −16.08 4 10.71
9 ZINC05339577 5.62 −0.72 5.91 −85.85 −9.56 −104.50 −7.60 3 10.26
13 ZINC06668757 4.07 −2.06 3.10 −93.05 30.03 −136.16 −10.84 4 8.59
18 ZINC08566495 3.15 −1.73 1.73 −90.87 16.11 −115.33 −1.73 2 7.59
15 ZINC00134670 4.03 −0.56 3.16 −60.73 −8.09 −89.40 −12.15 3 8.38
21 ZINC07570567 1.13 −1.80 3.97 −118.85 17.57 −213.25 −7.22 3 5.10
17 ZINC07198995 4.21 −1.51 0.91 −97.55 10.97 −180.86 −5.80 3 7.92
20 ZINC07570363 2.90 −3.53 2.70 −120.82 15.77 −192.00 −7.21 4 6.56
19 ZINC01231723 4.59 −1.75 3.39 −87.64 −18.16 −126.91 −6.51 4 6.58
22 ZINC04413017 4.01 −1.22 3.57 −46.29 6.06 −78.67 −5.57 2 4.96