Dataset: HXK4
Key Value Description Download
Target HXK4 gene id ###
Name Hexokinase type IV protein name ###
Super-family Transferase protein class ###
PDB ID 3f9m the protein structure in TocoDDB click here
Pocket (x, y, z) -9.68, 3.09, 20.63 the center coordinate of the protein pocket click here
Actives 92 the number of active ligands ###
Topology decoys 4548 the number pf topology decoys click here
Conformation decoys 3288 the number of decoy conformations click here
Decoys 7836 the number of total decoys ###
Total 7928 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 776 0 0 8 1.000 98.000 98.000 20.103 1.000 1.000 1.108