Compound | Binding Energy (kcal/mol) | ||||
---|---|---|---|---|---|
DNA Binding Site | ATP Binding Site | ||||
1bjt | 2rgr | 1qzr | 1pvg | 1zxm | |
1 | -24.1 | -21.3 | -2.4 | -20.6 | -16.7 |
2 | -22.6 | -21.4 | -6.2 | -20.0 | -14.4 |
3 | -22.2 | -15.6 | -25.2 | -21.3 | -23.2 |
4 | -21.9 | -17.0 | -19.0 | -14.0 | -22.2 |
5 | -22.8 | -18.0 | NB | -14.0 | NB |
6 | -23.9 | -22.5 | -18.1 | -20.0 | -4.5 |
7 | -25.0 | -22.1 | -15.5 | -20.6 | -5.4 |
8 | -24.0 | -16.5 | -21.2 | NB | -2.8 |
9 | -19.4 | -17.5 | -19.5 | -8.8 | NB |
10 | -24.1 | -19.3 | NB | NB | NB |
11 | -20.3 | -19.9 | -11.0 | -18.0 | NB |
12 | -21.7 | -19.3 | -29.7 | -29.6 | -26.3 |
13 | -18.6 | -17.9 | NB | NB | NB |
14 | -20.5 | -18.6 | NB | NB | NB |
15 | -21.2 | -20.5 | -22.4 | -11.6 | -5.5 |
16 | -23.1 | -17.0 | -15.6 | -14.9 | -6.8 |
17 | -21.3 | -16.9 | -23.3 | -25.1 | -25.3 |
18 | -23.6 | -19.3 | -28.4 | -27.9 | -26.8 |
19 | -26.7 | -21.6 | -15.5 | -12.4 | -11.0 |
20 | -27.0 | -24.0 | -16.5 | -21.7 | -14.0 |
21 | -24.1 | -20.4 | -10.7 | -21.5 | -12.2 |
22 | -22.6 | -21.8 | -12.5 | -22.7 | -10.7 |
23 | -22.9 | -18.1 | -23.9 | -23.1 | -24.2 |