Dataset: PDE5A
Key Value Description Download
Target PDE5A gene id ###
Name Phosphodiesterase 5A protein name ###
Super-family Phosphodiesterase protein class ###
PDB ID 1udt the protein structure in TocoDDB click here
Pocket (x, y, z) 1.60, 67.23, 83.39 the center coordinate of the protein pocket click here
Actives 398 the number of active ligands ###
Topology decoys 19818 the number pf topology decoys click here
Conformation decoys 6219 the number of decoy conformations click here
Decoys 26037 the number of total decoys ###
Total 26435 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 2529 5 12 26 0.754 62.044 59.562 18.507 0.976 0.756 0.878