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Table 1 Docking scores of flavonols at potential BPs along with experimental Ki values

From: Identification of potential binding pocket on viral oncoprotein HPV16 E6: a promising anti-cancer target for small molecule drug discovery

Ligand BP# 23 BP# 24 BP# 25 BP# 26 BP# 27 BP# 28 Experimental
Ki (μM)a
myricetin 44.9843 43.4749 39.7426 34.9258 33.4030 31.5181 0.85
morin 41.5695 40.0641 38.2520 31.4341 25.6152 29.3939 4.0
quercetin 40.2787 38.7066 32.9974 32.1224 26.5935 30.9113 ~ 40
6-hydroxy flavonol 41.3446 41.8128 31.3729 30.6833 23.4966 31.0623 ~ 40
galangin 41.7086 32.1758 31.7116 31.5844 26.8369 26.5540 ~ 40
kaempferol 38.3442 26.1726 34.3741 27.1258 24.6340 24.1499 > 40
  1. BP Binding Pocket
  2. aReported Ki values