Table 4 List of potential GlmU inhibitors selected based on minimum docking free energy
From: A web server for predicting inhibitors against bacterial target GlmU protein
Substrate similar compounds | Anti-infective Compounds | ||||||
|---|---|---|---|---|---|---|---|
S.No. | Compound ID | Free Energy of Binding | Predicted IC50 value | S.No. | Compound ID | Free Energy of Binding | Predicted IC50 value |
1 | 21681703 | -9.84 | 82.94 | 1 | 4451056 | -9.15 | 101.40 |
2 | 21597577 | -9.37 | 109.93 | 2 | 4095801 | -9.08 | 121.50 |
3 | 23421195 | -9.27 | 82.94 | 3 | 702695 | -8.87 | 85.30 |
4 | 24794354 | -9.22 | 80.26 | 4 | 9612992 | -8.74 | 126.62 |
5 | 21678408 | -9.17 | 80.26 | 5 | 2236 | -8.59 | 121.50 |
6 | 24794360 | -9.17 | 80.26 | 6 | 3092 | -8.36 | 111.76 |
7 | 24794349 | -9.14 | 80.26 | 7 | 10751694 | -8.12 | 111.77 |
8 | 21602943 | -9.11 | 109.93 | 8 | 34318 | -8.05 | 76.33 |
9 | 7098640 | -9.03 | 80.26 | 9 | 5284340 | -7.89 | 76.33 |
10 | 24794358 | -9.02 | 80.26 | 10 | 93364 | -7.65 | 66.27 |
11 | 21145106 | -9.01 | 110.46 | 11 | 31715 | -7.43 | 70.88 |
12 | 7098639 | -8.97 | 109.93 | 12 | 39981 | -7.35 | 101.40 |
13 | 24794356 | -8.97 | 80.26 | 13 | 10611 | -7.32 | 118.08 |
14 | 23421194 | -8.94 | 82.94 | 14 | 2774 | -7.3 | 118.08 |
15 | 20843309 | -8.93 | 110.46 | 15 | 20824 | -7.27 | 88.64 |
16 | 26470622 | -8.92 | 109.93 | 16 | 7059498 | -7.25 | 88.63 |
17 | 25202420 | -8.9 | 109.93 | 17 | 3415 | -7.22 | 101.40 |
18 | 23421196 | -8.83 | 109.93 | 18 | 3070413 | -7.21 | 127.04 |
19 | 21681821 | -8.76 | 82.94 | 19 | 12874082 | -7.21 | 70.89 |
20 | 4624316 | -8.73 | 80.26 | 20 | 7018315 | -7.19 | 61.59 |