Dataset: JNK3
Key Value Description Download
Target JNK3 gene id ###
Name Mitogen-Activated Protein Kinase 10 protein name ###
Super-family Kinase protein class ###
PDB ID 2b1p the protein structure in TocoDDB click here
Pocket (x, y, z) 47.12, 4.95, 32.85 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2016 the number pf topology decoys click here
Conformation decoys 1069 the number of decoy conformations click here
Decoys 3085 the number of total decoys ###
Total 3125 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 305 1 2 2 0.571 77.500 51.667 10.333 0.700 0.407 0.732