Table 1.
No. | Structure | Reported IC50 (nM) | Binding energy (kcal/mol) | No. of retrieved hit compounds |
---|---|---|---|---|
1 | 6000 | -8.47 | 934 | |
2 | 192 | -7.02 | 124 | |
3 | 69 | -7.77 | 564 | |
4 | 96.4 | -7.92 | 8 | |
5 | 149 | -7.06 | 1855 | |
6 | 50 | -7.99 | 4 | |
7 | 0.02 | -8.96 | 1267 | |
8 | 0.028 | -8.98 | 0 | |
9 | 0.56 | -5.75 | 42 | |
10 | 0.02 | -9.06 | 2170 |