Dataset: MK14
Key Value Description Download
Target MK14 gene id ###
Name MAP kinase p38 alpha protein name ###
Super-family Kinase protein class ###
PDB ID 2qd9 the protein structure in TocoDDB click here
Pocket (x, y, z) -2.77, -1.00, 24.72 the center coordinate of the protein pocket click here
Actives 578 the number of active ligands ###
Topology decoys 28965 the number pf topology decoys click here
Conformation decoys 19725 the number of decoy conformations click here
Decoys 48690 the number of total decoys ###
Total 49268 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 4828 3 14 35 0.805 95.442 76.769 17.551 0.971 0.817 0.889