Dataset: ITK
Key Value Description Download
Target ITK gene id ###
Name IL2-inducible T-cell kinase protein name ###
Super-family Kinase protein class ###
PDB ID 3mj1 the protein structure in TocoDDB click here
Pocket (x, y, z) 15.38, 8.41, -2.75 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 1993 the number pf topology decoys click here
Conformation decoys 1141 the number of decoy conformations click here
Decoys 3134 the number of total decoys ###
Total 3174 the size of TocoDDB click here
Source DEKOIS the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 310 1 3 0 0.000 0.000 34.889 6.978 0.730 0.066 0.326