Table 1.

Docking scores as computed with Glide XP using flexible docking and induced-fit docking (IFD). The IFD scores are also reported.

Compound	Flexible docking	IFD
	Glide XP	Glide XP	IFDScore
SW155246	−4.817	−5.858	−1009.528
SW155246-1	−4.312	−5.244	−1008.860
SW155246-2	−4.370	−5.819	−1009.967