Dataset: DPP4
Key Value Description Download
Target DPP4 gene id ###
Name Dipeptidyl peptidase IV protein name ###
Super-family Protease protein class ###
PDB ID 2i78 the protein structure in TocoDDB click here
Pocket (x, y, z) -18.06, -5.61, 60.29 the center coordinate of the protein pocket click here
Actives 533 the number of active ligands ###
Topology decoys 26599 the number pf topology decoys click here
Conformation decoys 19566 the number of decoy conformations click here
Decoys 46165 the number of total decoys ###
Total 46698 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 4574 21 8 40 0.734 96.729 71.495 19.596 0.979 0.861 0.929