Dataset: UPA
Key Value Description Download
Target UPA gene id ###
Name Urokinase Plasminogen activator protein name ###
Super-family Protease protein class ###
PDB ID 3mhw the protein structure in TocoDDB click here
Pocket (x, y, z) -29.90, -18.73, 10.48 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2028 the number pf topology decoys click here
Conformation decoys 1081 the number of decoy conformations click here
Decoys 3109 the number of total decoys ###
Total 3149 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 308 1 0 4 0.889 78.250 52.167 20.867 0.998 0.767 1.104