Dataset: MAPK2
Key Value Description Download
Target MAPK2 gene id ###
Name MAP kinase-activated protein kinase 2 protein name ###
Super-family Kinase protein class ###
PDB ID 3m2w the protein structure in TocoDDB click here
Pocket (x, y, z) 37.74, 5.84, 17.38 the center coordinate of the protein pocket click here
Actives 101 the number of active ligands ###
Topology decoys 5093 the number pf topology decoys click here
Conformation decoys 2715 the number of decoy conformations click here
Decoys 7808 the number of total decoys ###
Total 7909 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 763 3 0 10 0.870 77.600 77.600 20.421 1.000 1.000 1.109