Table 2. Summary of docking results with docking fragments having a glide score less than -6 kcal/mol.
| Entry ID | Chem-Bridge ID | H-acc | H-don | Tot Q | docking score | glide evdw | glide ecoul | glide einternal | XP HBond |
|---|---|---|---|---|---|---|---|---|---|
| 1 | 4023162 | 3 | 1 | 1 | -7.37043 | -21.4096 | -18.254 | 3.03477 | -1.53591 |
| 2 | 9196386 | 3 | 2 | 0 | -6.92729 | -27.5141 | -5.49395 | 4.676783 | -1.20002 |
| 3 | 4023162 | 3 | 1 | 1 | -6.81036 | -21.0031 | -17.3672 | 1.19626 | -1.52328 |
| 4 | 7800757 | 3 | 2 | 1 | -6.65618 | -16.0363 | -12.9647 | 6.040117 | -0.35 |
| 5 | 4032216 | 3 | 2 | 2 | -6.64649 | -19.3763 | -23.0297 | 0.105478 | -1.07038 |
| 6 | 9074551 | 3 | 3 | 1 | -6.52798 | -22.3908 | -15.1795 | 9.383986 | 0 |
| 7 | 5281570 | 3 | 1 | 1 | -6.46068 | -26.0475 | -13.9454 | 1.878679 | -1.28173 |
| 8 | 5352152 | 3 | 1 | 1 | -6.37494 | -24.6968 | -13.8561 | 9.569322 | -0.68915 |
| 9 | 9050764 | 2 | 1 | 1 | -6.34627 | -23.4707 | -12.9477 | 1.065237 | -1.43594 |
| 10 | 9128500 | 2 | 2 | 1 | -6.32522 | -19.5754 | -14.8443 | 4.34129 | -0.74179 |
| 11 | 7416480 | 3 | 2 | 1 | -6.30067 | -25.1667 | -13.6941 | 5.425971 | -2.78793 |
| 12 | 5425653 | 2 | 1 | 2 | -6.27287 | -27.197 | -16.659 | 1.89843 | -1.09959 |
| 13 | 4102983 | 2 | 2 | 0 | -6.24678 | -20.4447 | -6.82913 | 2.515983 | -0.34759 |
| 14 | 5423974 | 2 | 0 | 2 | -6.24342 | -25.9363 | -17.5758 | 2.513569 | -1.46303 |
| 15 | 4011111 | 3 | 2 | 1 | -6.22181 | -13.2892 | -16.1706 | 6.032959 | -0.58688 |
| 16 | 4033187 | 3 | 1 | 1 | -6.20986 | -26.1761 | -14.103 | 1.81429 | -0.7 |
| 17 | 5110337 | 1 | 2 | 2 | -6.18172 | -22.9283 | -19.9783 | 6.062332 | 0 |
| 18 | 9144090 | 2 | 3 | 1 | -6.17131 | -24.2924 | -14.2719 | 1.619026 | -1.68702 |
| 19 | 5270729 | 3 | 0 | 2 | -6.16607 | -24.041 | -17.2837 | 11.132024 | -0.87137 |
| 20 | 7642164 | 2 | 2 | 2 | -6.10683 | -28.3099 | -13.943 | 18.058704 | -0.66575 |
| 21 | 4004204 | 3 | 1 | 1 | -6.09836 | -23.3484 | -12.2197 | 1.071324 | 0 |
| 22 | 9192075 | 3 | 2 | 0 | -6.0859 | -26.4409 | -8.55654 | 1.233545 | -1.90824 |
| 23 | 5410476 | 2 | 0 | 2 | -6.07498 | -22.6693 | -14.3919 | 7.396954 | 0 |
| 24 | 5425653 | 2 | 1 | 2 | -6.05024 | -25.2109 | -14.9002 | 1.216756 | -0.9 |
| 25 | 7479241 | 2 | 2 | 0 | -6.05011 | -27.9463 | -7.17434 | 6.988785 | 0 |
| 26 | 4039846 | 3 | 2 | 2 | -6.0435 | -20.7603 | -20.261 | 2.660967 | -2.6111 |
| 27 | 9038595 | 2 | 1 | 1 | -6.03304 | -23.3382 | -12.1407 | 0.301394 | -1.87675 |
| 28 | 5181705 | 3 | 1 | 1 | -6.03003 | -18.6495 | -13.0462 | 3.096679 | -1.41122 |
| 29 | 9023327 | 3 | 1 | 2 | -6.0057 | -26.4847 | -18.1268 | 4.404947 | -0.30556 |
| 30 | 5270336 | 3 | 1 | 2 | -6.00284 | -20.1269 | -19.8037 | 0.235658 | -2.5941 |