Dataset: PNPH
Key Value Description Download
Target PNPH gene id ###
Name Purine nucleoside phosphorylase protein name ###
Super-family Transferase protein class ###
PDB ID 1b8o the protein structure in TocoDDB click here
Pocket (x, y, z) 22.09, 88.99, 73.84 the center coordinate of the protein pocket click here
Actives 123 the number of active ligands ###
Topology decoys 6133 the number pf topology decoys click here
Conformation decoys 4576 the number of decoy conformations click here
Decoys 10709 the number of total decoys ###
Total 10832 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 1065 2 1 12 0.889 83.077 83.077 20.000 1.000 0.978 1.063