Dataset: MK10
Key Value Description Download
Target MK10 gene id ###
Name c-Jun N-terminal kinase 3 protein name ###
Super-family Kinase protein class ###
PDB ID 2zdt the protein structure in TocoDDB click here
Pocket (x, y, z) 47.94, 7.56, 31.31 the center coordinate of the protein pocket click here
Actives 104 the number of active ligands ###
Topology decoys 5185 the number pf topology decoys click here
Conformation decoys 1829 the number of decoy conformations click here
Decoys 7014 the number of total decoys ###
Total 7118 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 692 3 3 7 0.700 70.500 50.357 16.114 0.950 0.662 0.857