Dataset: AKT1_SM
Key Value Description Download
Target AKT1_SM gene id ###
Name RAC-alpha serine/threonine-protein kinase(PKB) protein name ###
Super-family Kinase protein class ###
PDB ID 3qkl the protein structure in TocoDDB click here
Pocket (x, y, z) -8.41, 0.45, 17.64 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2016 the number pf topology decoys click here
Conformation decoys 1498 the number of decoy conformations click here
Decoys 3514 the number of total decoys ###
Total 3554 the size of TocoDDB click here
Source DEKOIS the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 347 2 1 2 0.571 117.333 78.222 20.706 0.997 0.817 1.094