From: Prediction of specificity-determining residues for small-molecule kinase inhibitors
Compound | Primary target | PDB | Predictions | FN | FP | TN | TP | Total |
---|---|---|---|---|---|---|---|---|
SB-203580 | p38 | 1A9U | Leu 104 Thr 106 | 0 | 0 | 14 | 2 | 16 |
PHA-00781089 | MK2 | 2P3G | Cys 140 Gly 143 | 0 | 1 | 18 | 1 | 20 |
Roscovitine | CDK2 | 2A4L | Val 64 Leu 83 Ala 144 | 0 | 2 | 20 | 1 | 23 |
PP1 | SRC/HCK | 1QCF | Thr 338 Gly 344 | 0 | 1 | 18 | 1 | 20 |
OSI-774 | EGFR | 1M17 | Thr 766 Cys 773 | 0 | 1 | 19 | 1 | 21 |
GW-572016 | EGFR | 1XKK | Cys 775 | 2 | 0 | 23 | 1 | 26 |
Fasudil | ROCK1 | 2ESM | Val 137 Met 153 Ala 215 | 1 | 2 | 14 | 1 | 17 |