Dataset: PPARD
Key Value Description Download
Target PPARD gene id ###
Name Peroxisome proliferator-activated receptor delta protein name ###
Super-family Nuclear protein class ###
PDB ID 2znp the protein structure in TocoDDB click here
Pocket (x, y, z) 15.77, 2.76, 37.44 the center coordinate of the protein pocket click here
Actives 240 the number of active ligands ###
Topology decoys 12034 the number pf topology decoys click here
Conformation decoys 1514 the number of decoy conformations click here
Decoys 13548 the number of total decoys ###
Total 13788 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 1272 2 7 17 0.791 54.083 54.083 18.591 0.922 0.846 0.966