Dataset: PYGL-IN
Key Value Description Download
Target PYGL-IN gene id ###
Name Glycogenphosphorylase (inner dimer site) protein name ###
Super-family Transferase protein class ###
PDB ID 1xoi the protein structure in TocoDDB click here
Pocket (x, y, z) 3.08, 33.83, 77.99 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2015 the number pf topology decoys click here
Conformation decoys 561 the number of decoy conformations click here
Decoys 2576 the number of total decoys ###
Total 2616 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 256 0 3 1 0.400 65.000 32.500 10.000 0.946 0.359 0.573