Table 1.
The top 10 protein targets by reverse docking through 2D vs. 3D similarity with casticin
| (Chemmapper) target name | Rank | Score | Uniprot |
|---|---|---|---|
| Proto-oncogene serine/threonine-protein kinase Pim-1 | 1 | 1 | P11309 |
| Estrogen receptor beta | 2 | 0.894 | Q92731 |
| Phosphatidylinositol-4,5-bisphosphate 3-kinase | 3 | 0.639 | P48736 |
| Cell division protein kinase 2 | 4 | 0.408 | P24941 |
| Estrogen receptor | 5 | 0.407 | Q61026 |
| HpFabZ | 6 | 0.351 | NONE |
| QacR (E58Q) | 7 | 0.27 | P0A0N3 |
| Dihydroflavonol 4-reductase | 8 | 0.236 | P51110 |
| Reticuline oxidase; berberine bridge-forming enzyme | 9 | 0.226 | P30986 |
| Reticuline oxidase | 10 | 0.217 | P30986 |