Table 6.
Sample no. | Ligand | Receptor-ligand complex | Binding affinity (kcal/mol) |
---|---|---|---|
1 | IMPHY002419 | 2HTU_IMPHY002419 | −7.2 |
2 | IMPHY003982 | 2HTU_IMPHY003982 | −4.8 |
3 | IMPHY003992 | 2HTU_IMPHY003992 | −8.4 |
4 | IMPHY005537 | 2HTU_IMPHY005537 | −7.6 |
5 | IMPHY006864 | 2HTU_IMPHY006864 | −7.8 |
6 | IMPHY006904 | 2HTU_IMPHY006904 | −8.1 |
7 | IMPHY011789 | 2HTU_IMPHY011789 | −4.6 |
8 | IMPHY012021 | 2HTU_IMPHY012021 | −7.8 |
9 | IMPHY012061 | 2HTU_IMPHY012061 | −5.5 |
10 | IMPHY012147 | 2HTU_IMPHY012147 | −5.3 |
11 | IMPHY012175 | 2HTU_IMPHY012175 | −4.9 |
12 | IMPHY014836 | 2HTU_IMPHY014836 | −6.6 |
13 | IMPHY014852 | 2HTU_IMPHY014852 | −5.4 |
14 | IMPHY014923 | 2HTU_IMPHY014923 | −5.1 |
15 | Peramivir | 2HTU_peramivir | −5.7 |
Bold value represents the highest affinity and relative to the standard compound.