Dataset: PYGL-OUT
Key Value Description Download
Target PYGL-OUT gene id ###
Name Glycogenphosphorylase (outer dimer site) protein name ###
Super-family Transferase protein class ###
PDB ID 3dds the protein structure in TocoDDB click here
Pocket (x, y, z) 82.15, -96.18, 123.47 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 1777 the number of decoy conformations click here
Decoys 3770 the number of total decoys ###
Total 3810 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 371 4 0 4 0.667 94.750 94.750 21.056 1.000 1.000 1.237