Dataset: JAK3
Key Value Description Download
Target JAK3 gene id ###
Name Janus Kinase 3 protein name ###
Super-family Kinase protein class ###
PDB ID 3lxl the protein structure in TocoDDB click here
Pocket (x, y, z) 1.33, 15.28, 4.97 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2024 the number pf topology decoys click here
Conformation decoys 640 the number of decoy conformations click here
Decoys 2664 the number of total decoys ###
Total 2704 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 262 0 1 3 0.857 66.500 66.500 20.462 1.000 1.000 1.353