The significant docking study results of compounds with enzyme 4J5T: PDB.

Compound	Free Gibbs energy	Inhibition constant, Ki	Hydrogen number	The character and bond length
1 Pose 304	−12.43	0.077	4	A: Arg 26:N-pose 304:O (2.53)
				A: Tyr 343:N-pose 304:O (2.93 Å)
				A: Glu 435:N-pose 304:O (3.05)
				Pose 304: H – A: Leu 432:O (1.89 Å)
2 Pose 149	−10.53	0.027	2	A: Arg 428:N – pose 149:O (3.08 Å)
				Pose 149:H – A: Glu 771:O (1.95 Å)
3 Pose 82	−10.22	0.032	6	A: TRP 391:N – pose 82:O (2.77 Å)
				A: Arg 428:N – pose 82:O (2.79 Å)
				A: Arg 428:N – pose 82:O (2.86 Å)
				Pose 82:H – A:Asp 392:O (1.83 Å)
				Pose 82:H – A:Asp 392:O (2.48 Å)
				Pose 82:H – A:Glu 429:O (1.82 Å)
4 Pose 332	−11.05	0.007	2	A: Arg 428:N-pose 332:O (2.65 Å)
				Pose 332:H – A:Asp 392:O (1.80 Å)
5 Pose 160	−11.77	0.0024	1	A: Arg 428:N – pose 160:O (2.45 Å)
6 Pose 490	−12.04	0.002	1	A: ARG 428:N – pose 490:O (2.67 Å)
7 Pose 489	−11.97	0.0017	1	A: Arg 428:N – pose 489:O (2.59 Å)