SPOT-ligand result for test

The top compounds for test:
# lig TS TC_max SP-score tpl SVG
1 DB00143 0.515 1.000 0.908 3f3r_GSH_A_1
2 DB01593 0.481 1.000 0.940 1nw2_ZN_G_1
3 DB03564 0.468 1.000 0.905 2h70_MPD_A_1
4 DB04701 0.455 0.875 0.908 3f3r_GSH_A_1
5 DB01373 0.455 1.000 0.898 2xc2_CA_A_1
6 DB01378 0.441 1.000 0.856 1v98_MG_B_1
7 DB02025 0.439 0.844 0.908 3f3r_GSH_A_1
8 ZINC39805205 0.437 0.840 0.908 3f3r_GSH_A_1
9 DB03295 0.433 0.833 0.908 3f3r_GSH_A_1
10 DB03470 0.428 0.823 0.908 3f3r_GSH_A_1
11 DB03408 0.417 0.803 0.908 3f3r_GSH_A_1
12 DB02202 0.417 0.889 0.905 2h70_MPD_A_1
13 DB05446 0.415 0.795 0.908 3f3r_GSH_A_1
14 DB04153 0.415 0.795 0.908 3f3r_GSH_A_1
15 DB03310 0.414 0.795 0.908 3f3r_GSH_A_1
16 DB04132 0.413 0.787 0.908 3f3r_GSH_A_1
17 ZINC03872734 0.409 0.787 0.908 3f3r_GSH_A_1
18 DB03032 0.408 0.778 0.908 3f3r_GSH_A_1
19 DB03427 0.400 0.765 0.908 3f3r_GSH_A_1
20 ZINC03954014 0.396 0.827 0.899 3o6t_PX5_A_1
More of top 1000 compounds can be obtained here.
Ranking for drugbank can be obtained here.
Top 10000 compounds for ZINC can be obtained here.
Wed Jan 22 18:12:50 2020