TABLE 6.
Number | Name | IC50 (µM) | Lowest binding free energy (kcal/mol) |
---|---|---|---|
1 | 52 | 6.8 | −6.68 |
2 | 59 | 7.6 | −5.99 |
3 | 68 | 8.7 | −5.83 |
4 | 69 | 5.9 | −5.54 |
5 | 78 | 9.4 | −4.83 |
6 | 91 | 7.7 | −5.51 |
7 | 98 | 7.8 | −5.39 |
8 | 101 | 7.5 | −5.44 |
9 | 102 | 6.3 | −5.22 |
10 | 106 | 8.2 | −5.64 |
11 | 107 | 6.3 | −5.63 |
12 | 108 | 6.2 | −5.68 |
13 | 109 | 9.0 | −5.44 |
14 | 111 | 7.0 | −5.68 |
15 | 115 | 4.5 | −4.02 |
16 | 117 | 3.7 | −5.20 |
17 | 118 | 6.8 | −5.25 |
18 | 119 | 6.3 | −10.57 |
19 | 120 | 5.0 | −5.06 |
20 | 121 | 4.4 | −5.12 |
21 | 122 | 4.0 | −5.24 |
22 | 123 | 5.2 | −4.53 |
23 | 124 | 5.9 | +1.07 |