Table 3. List of the Top 10 Hits and Known SphK1 Inhibitors, PF-543 and SKI-II, with Their Binding Affinity toward SphK1.
s. no. | compound ID | binding affinity (kcal/mol) |
---|---|---|
1 | ZINC12898623 | –12.2 |
2 | ZINC02149103 | –12.1 |
3 | ZINC05434006 | –12.0 |
4 | ZINC04260971 | –11.9 |
5 | ZINC05433944 | –11.9 |
6 | ZINC03839231 | –11.8 |
7 | ZINC06623685 | –11.8 |
8 | ZINC08296863 | –11.8 |
9 | ZINC08788772 | –11.8 |
10 | ZINC12898106 | –11.8 |
11 | PF-543 | –9.1 |
12 | SKI-II | –8.8 |