Dataset: MP2K1
Key Value Description Download
Target MP2K1 gene id ###
Name Dual specificity mitogen-activated protein kinase kinase 1 protein name ###
Super-family Kinase protein class ###
PDB ID 3eqh the protein structure in TocoDDB click here
Pocket (x, y, z) -1.49, 58.28, 32.89 the center coordinate of the protein pocket click here
Actives 121 the number of active ligands ###
Topology decoys 6097 the number pf topology decoys click here
Conformation decoys 2801 the number of decoy conformations click here
Decoys 8898 the number of total decoys ###
Total 9019 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 880 4 5 7 0.609 74.667 56.000 16.970 0.885 0.658 0.821