Dataset: PTN1
Key Value Description Download
Target PTN1 gene id ###
Name Protein-tyrosine phosphatase 1B protein name ###
Super-family Phosphatase protein class ###
PDB ID 2azr the protein structure in TocoDDB click here
Pocket (x, y, z) 46.05, 14.35, 2.56 the center coordinate of the protein pocket click here
Actives 130 the number of active ligands ###
Topology decoys 6513 the number pf topology decoys click here
Conformation decoys 2747 the number of decoy conformations click here
Decoys 9260 the number of total decoys ###
Total 9390 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 889 3 2 6 0.706 112.500 75.000 17.500 0.972 0.794 0.919