Table 2.

Glide SP docking score of the selected poses of derivatives 1–18. RMSD of the docking poses within each triplet (INDZ vs. IMID 1 and IMID 2 analogues). ¹ RMSD based on the core and carboxamide portion. ² RMSD based on the whole molecule. Ref. stands for reference compound.

ID	Core	Glide SP Docking Score (kcal/mol)	RMSD Core + Carboxamide (Å) 1	RMSD (Å) 2
1	INDZ	−8.48	Ref.	Ref.
7	IMID 1	−8.58	0.44	1.24
13	IMID 2	−8.69	0.34	0.76
2	INDZ	−8.77	Ref.	Ref.
8	IMID 1	−7.94	0.45	1.36
14	IMID 2	−8.44	0.43	0.92
3	INDZ	−8.88	Ref.	Ref.
9	IMID 1	−8.28	0.15	0.70
15	IMID 2	−8.25	0.19	0.39
4	INDZ	−8.44	Ref.	Ref.
10	IMID 1	−7.91	0.18	1.00
16	IMID 2	−7.72	0.15	1.51
5	INDZ	−8.16	Ref.	Ref.
11	IMID 1	−8.51	0.22	0.72
17	IMID 2	−8.61	0.34	0.28
6	INDZ	−7.96	Ref.	Ref.
12	IMID 1	−8.14	0.26	1.08
18	IMID 2	−8.95	0.67	1.42