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. 2018 Apr 4;5(4):171750. doi: 10.1098/rsos.171750

Table 3.

Molecular docking analysis of 6 protein targets with selected compounds. The binding energy was calculated for Glide in kcal mol−1.

Glide score binding energy (kcal mol−1)
PDB target compound 6f compound 6h compound 6o compound 6s
1G3U −6.551 −6.782 −5.617 −5.912
1W19 −6.852 −4.880 −4.165 −5.600
1ZID −7.826 −9.189 −7.316 −11.123
2OZ5 −6.899 −7.344 −5.572 −7.967
3IUB −6.600 −6.602 −5.104 −5.291
1DG5 −4.521 −4.793 −4.475 −6.233