Dataset: PPARG
Key Value Description Download
Target PPARG gene id ###
Name Peroxisome proliferator-activated receptor gamma protein name ###
Super-family Nuclear protein class ###
PDB ID 2gtk the protein structure in TocoDDB click here
Pocket (x, y, z) 3.83, 25.01, 17.17 the center coordinate of the protein pocket click here
Actives 519 the number of active ligands ###
Topology decoys 25924 the number pf topology decoys click here
Conformation decoys 7779 the number of decoy conformations click here
Decoys 33703 the number of total decoys ###
Total 34222 the size of TocoDDB click here
Source DUDE, DEKOIS the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 3283 6 13 39 0.804 64.250 64.250 19.237 0.986 0.872 0.935