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Table 1 S-Filter predictions

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
  1. Predicted specificity determinants are shown for each compound and are either designated as false positives (FP) or true positives (TP). Five of the predicted residues are in italics as they are self-designated true positives after validating them through structural superposition studies. Residues that were not predicted as specificity determinants are not shown but are either designated as false negatives or true negatives. The total number of residues in the binding site are shown in the final column.