Dataset: PPARA
Key Value Description Download
Target PPARA gene id ###
Name Peroxisome proliferator-activated receptor alpha protein name ###
Super-family Nuclear protein class ###
PDB ID 2p54 the protein structure in TocoDDB click here
Pocket (x, y, z) 13.22, 39.57, 27.57 the center coordinate of the protein pocket click here
Actives 413 the number of active ligands ###
Topology decoys 20557 the number pf topology decoys click here
Conformation decoys 2004 the number of decoy conformations click here
Decoys 22561 the number of total decoys ###
Total 22974 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 1996 5 7 34 0.850 44.824 44.824 18.066 0.965 0.806 0.929