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. 2024 May 20;14(23):16332–16348. doi: 10.1039/d4ra01874e

Molecular docking free binding energy and bond interactions estimate to PTK receptor.

Comp. Binding energy (kcal mol−1) Arene–H interactions H-bond acceptor H-bond donor
7b −6.8897 Val256 Met318 (2.83 Å)
Glu316 (2.21 Å)
7c −6.5024 Met318 (2.88 Å)
Gly249 (3.34 Å)
13b −6.9625 Leu248 Met318 (2.06 Å)
Met318 (Å)
Thr319 (Å)
13c −6.9727 Leu248 Met318 (2.10 Å)
15c −7.7288 Val256 Glu316 (3.02 Å)
17d −7.3209 Met318 (3.14 Å)
18 −7.6805 Met318 (3.61 Å)
24 −7.5790 Met318 (2.88 Å)
Met318 (3.35 Å)
Met318 (3.49 Å)
1N1 −9.2907 Leu248 Met318 (2.86 Å) Met318 (2.86 Å)
Thr315 (2.84 Å)