Dataset: JAK2
Key Value Description Download
Target JAK2 gene id ###
Name Tyrosine-protein kinase JAK2 protein name ###
Super-family Kinase protein class ###
PDB ID 3lpb the protein structure in TocoDDB click here
Pocket (x, y, z) 114.41, 66.18, 10.69 the center coordinate of the protein pocket click here
Actives 107 the number of active ligands ###
Topology decoys 5343 the number pf topology decoys click here
Conformation decoys 2803 the number of decoy conformations click here
Decoys 8146 the number of total decoys ###
Total 8253 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 806 3 3 7 0.700 81.900 71.663 18.428 0.990 0.783 0.939