Dataset: PYGM
Key Value Description Download
Target PYGM gene id ###
Name Muscle glycogen phosphorylase protein name ###
Super-family Phosphorylase protein class ###
PDB ID 1c8k the protein structure in TocoDDB click here
Pocket (x, y, z) 39.98, 36.84, 29.48 the center coordinate of the protein pocket click here
Actives 77 the number of active ligands ###
Topology decoys 3820 the number pf topology decoys click here
Conformation decoys 1540 the number of decoy conformations click here
Decoys 5360 the number of total decoys ###
Total 5437 the size of TocoDDB click here
Source DUDE the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 532 1 2 4 0.727 89.833 71.867 13.821 0.933 0.700 0.888