Table 1. Docking Statistics of the Compounds with TryR and Their Interaction with the Protein.

entry	binding energy	H-bond	possible hydrophobic interactions
3a	–7.78	2JK6:Met-400(A):NH	Pro-398, Phe-396, Glu-467, Glu-466, Thr-463 from A chain; Leu-62, Lys-61 from B chain
3b	–8.09		Val-58, Lys-61, Leu-62, Thr-65 from B chain; Phe-396, Thr-397, Pro-398, Leu-399, Met-400, His-461 and Pro-462 from A chain
3c	–6.82		Val-58, Lys-61, Leu-62, Thr-65 from B chain; Thr-463, Pro-398, Phe-396, Leu-399, Met-400 and Pro-462 from A chain
3d	–7.63	2JK6:Lys-61(B):HZ2	Val-58, Lys-61, Leu-62 from B chain; Phe-396, Pro-398, Leu-399, Thr-463 and Ser-464 from A chain
3e	–7.54		Val-58, Lys-61, Leu-62, Thr-65 from B chain; Phe-396, Pro-398, Met-400, His-461 and Pro-462 from A chain
3f	–7.35		Lys-61, Leu-62, Thr-65, Phe-396, Pro-398, Met-400 and Pro-462
3g	–8.22	2JK6:Lys-61(B):HZ2	Leu-62, Thr-65 from B chain; Phe-396, Thr-397, Pro-398, Met-400, Pro-462 and Thr-463 from A chain
3h	–8.11		Val-58, Lys-61, Leu-62, Thr-65 from B chain; Phe-396, Pro-398, Met-400, Pro-462 and Thr-463 from A chain
3i	–9.20		Val-58, Lys-61, Leu-62, Thr-65 from B chain; Phe-396, Leu-399, Met-400, Thr-463, Glu-466 and Glu-467 from A chain
3j	–8.17	2JK6:Lys-61(B):HZ2 2JK6:Leu-399(A):HN	Phe-396, Pro-462, Thr-463 and Ser-464 from A chain
3k	–8.61	2JK6:Ser-464(A):SH and OH	Val-58, Lys-61, Leu-62 from B chain; Phe-396, Pro-398, Leu-399 and Met-400 from A chain