Dataset: JNK1
Key Value Description Download
Target JNK1 gene id ###
Name Mitogen-Activated Protein Kinase 8 protein name ###
Super-family Kinase protein class ###
PDB ID 3elj the protein structure in TocoDDB click here
Pocket (x, y, z) 23.06, 8.06, 31.05 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 1972 the number pf topology decoys click here
Conformation decoys 632 the number of decoy conformations click here
Decoys 2604 the number of total decoys ###
Total 2644 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 255 2 4 0 0.000 0.000 0.000 15.058 0.979 0.271 0.516