Dataset: PIM-2
Key Value Description Download
Target PIM-2 gene id ###
Name Serine/threonine-protein kinase pim-2 protein name ###
Super-family Kinase protein class ###
PDB ID 2iwi the protein structure in TocoDDB click here
Pocket (x, y, z) -9.32, 24.31, 7.09 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2030 the number pf topology decoys click here
Conformation decoys 1326 the number of decoy conformations click here
Decoys 3356 the number of total decoys ###
Total 3396 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 332 0 3 1 0.400 84.000 28.000 15.750 0.876 0.403 0.669