Dataset: PDE5
Key Value Description Download
Target PDE5 gene id ###
Name cGMP-specific phosphodiesterase type 5 protein name ###
Super-family Hydrolase protein class ###
PDB ID 1xp0 the protein structure in TocoDDB click here
Pocket (x, y, z) -22.29, 28.35, 63.27 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2035 the number pf topology decoys click here
Conformation decoys 1092 the number of decoy conformations click here
Decoys 3127 the number of total decoys ###
Total 3167 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 310 0 3 1 0.400 78.500 26.167 10.467 0.950 0.406 0.671