Dataset: PIM-1
Key Value Description Download
Target PIM-1 gene id ###
Name Serine/threonine-protein kinase pim-1 protein name ###
Super-family Kinase protein class ###
PDB ID 3r04 the protein structure in TocoDDB click here
Pocket (x, y, z) 23.34, -36.31, 2.23 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2023 the number pf topology decoys click here
Conformation decoys 1312 the number of decoy conformations click here
Decoys 3335 the number of total decoys ###
Total 3375 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 4 0 0.000 0.000 0.000 0.000 0.684 0.029 0.010