Dataset: TPA
Key Value Description Download
Target TPA gene id ###
Name Tissue plasminogen activator protein name ###
Super-family Protease protein class ###
PDB ID 1a5h the protein structure in TocoDDB click here
Pocket (x, y, z) 9.18, 38.86, 51.43 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2011 the number pf topology decoys click here
Conformation decoys 1644 the number of decoy conformations click here
Decoys 3655 the number of total decoys ###
Total 3695 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 361 1 1 3 0.750 91.500 91.500 20.333 0.997 0.866 1.119