Table 5. Docking results against VEGFR-2 (PBD = 3VO3).

Compound	ΔG (kcal mol−1)	GBVI/WSA ΔG (kcal mol−1)	RMSD (Å)	Interacted residues
4a	−7.65	−36.99	1.35	Glu885
4b	−7.04	−36.61	2.05	Lys868
4c	−8.23	−36.6	1.83	Cys919, Lys868
4d	−7.42	−39.21	1.57	Cys919
4e	−7.18	−36.57	1.74	Lys868
4f	−8.21	−33.3	1.95	Cys919
4g	−7.98	−38.44	1.92	Cys919
4h	−7.17	−35.63	1.82	Lys868, Glu885
4i	−7.86	−40.31	1.81	Cys919
4j	−8.47	−37.79	1.61	Cys919, Glu885
5a	−7.88	−39.58	1.05	Glu885
5b	−7.17	−37.35	2.33	Lys868
5c	−8.02	−34.73	1.31	Cys919, Lys868
5d	−7.53	−35.11	1.39	Cys919
5e	−7.71	−34.67	2.12	Lys868, Glu885
5f	−7.62	−37.01	1.70	Asp1046
5g	−7.27	−36.17	1.42	Cys919
5h	−7.44	−36.83	1.76	Lys868, Glu885
5i	−7.79	−35.65	1.57	Cys919, Lys868
5j	−7.75	−36.29	2.32	Cys919, Glu885
6a	−7.85	−37.38	1.44	Glu885
6b	−7.15	−32.09	1.54	Lys868, Glu885
6c	−7.10	−35.68	1.11	Cys919, Lys868
6d	−7.54	−38.08	2.77	Cys919
6e	−7.36	−37.52	1.87	Lys868, Glu885
6f	−7.18	−37.34	2.1	Cys919, Lys868
6g	−7.64	−32.51	1.44	Cys919
6h	−7.60	−37.66	1.29	Lys868, Glu885
6i	−7.95	−35.55	1.72	Cys919, Lys868
6j	−7.70	−35.81	1.93	Cys919, Glu885
Sorafenib	−9.44	−46.54	1.47	Asp1046, Cys919, Glu885