Dataset: AKT2
Key Value Description Download
Target AKT2 gene id ###
Name Serine/threonine-protein kinase AKT2 protein name ###
Super-family Kinase protein class ###
PDB ID 3d0e the protein structure in TocoDDB click here
Pocket (x, y, z) 22.43, -19.46, 8.45 the center coordinate of the protein pocket click here
Actives 117 the number of active ligands ###
Topology decoys 5904 the number pf topology decoys click here
Conformation decoys 4711 the number of decoy conformations click here
Decoys 10615 the number of total decoys ###
Total 10732 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 1040 2 0 10 0.909 105.200 105.200 20.231 1.000 1.000 1.080