Table 8 Docked compounds with 5–6 interactions at ROCK1 and/or ASK1 binding sites
| Â | Â | ROCK1 | ASK1 | Average** | ||
|---|---|---|---|---|---|---|
Number of interactions | ZINC ID | No. of Interactions | Binding score* | No. of Interactions | Binding score* | Binding scores* |
5–6 Interactions | ZINC04968098 | 5 | ‒13.13 | 3 | ‒13.81 | ‒13.47 |
ZINC48234390 | 3 | ‒10.34 | 5 | ‒11.60 | ‒10.97 | |
ZINC12428844 | 3 | ‒10.67 | 5 | ‒11.09 | ‒10.88 | |
ZINC89779407 | 5 | ‒11.24 | 3 | ‒13.63 | ‒12.44 | |
ZINC20446787 | 5 | ‒12.20 | 5 | ‒13.29 | ‒12.74 | |
ZINC40129807 | 5 | ‒11.72 | 5 | ‒12.98 | ‒12.35 | |
ZINC32960731 | 5 | ‒12.72 | 3 | ‒12.27 | ‒12.50 | |
ZINC73988575 | 5 | ‒12.46 | 4 | ‒13.11 | ‒12.79 | |
ZINC72263787 | 3 | ‒12.76 | 5 | ‒15.29 | ‒14.03 | |
ZINC89638949 | 5 | ‒12.63 | 4 | ‒11.22 | ‒11.92 | |
ZINC05938451 | 5 | ‒13.41 | 4 | ‒11.95 | ‒12.68 | |
ZINC45947713 | 3 | ‒11.33 | 5 | ‒14.06 | ‒12.69 | |
ZINC66266481 | 3 | ‒10.72 | 5 | ‒11.43 | ‒11.07 | |
ZINC00637673 | 4 | ‒12.65 | 5 | ‒12.91 | ‒12.78 | |
ZINC77167529 | 4 | ‒10.86 | 5 | ‒11.71 | ‒11.28 | |
ZINC90394330 | 5 | ‒11.64 | 4 | ‒13.09 | ‒12.36 | |
ZINC60499106 | 5 | ‒11.16 | 5 | ‒12.36 | ‒11.76 | |
Co-crystalized ligands | 4 | ‒15.15 | 4 | ‒13.38 | ‒14.26 | |