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) |