Dataset: GLCM
Key Value Description Download
Target GLCM gene id ###
Name Beta-glucocerebrosidase protein name ###
Super-family Glucosylceramidase protein class ###
PDB ID 2v3f the protein structure in TocoDDB click here
Pocket (x, y, z) 36.14, 31.91, 0.82 the center coordinate of the protein pocket click here
Actives 54 the number of active ligands ###
Topology decoys 2708 the number pf topology decoys click here
Conformation decoys 1161 the number of decoy conformations click here
Decoys 3869 the number of total decoys ###
Total 3923 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 378 2 0 3 0.750 127.667 127.667 20.158 1.000 1.000 1.234