Dataset: AKT1_LG
Key Value Description Download
Target AKT1_LG gene id ###
Name Serine/threonine-protein kinase AKT protein name ###
Super-family Kinase protein class ###
PDB ID 3cqw the protein structure in TocoDDB click here
Pocket (x, y, z) 6.31, 3.05, 17.57 the center coordinate of the protein pocket click here
Actives 33 the number of active ligands ###
Topology decoys 1671 the number pf topology decoys click here
Conformation decoys 11132 the number of decoy conformations click here
Decoys 12803 the number of total decoys ###
Total 12836 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 1274 3 5 20 0.833 52.080 52.080 20.031 0.999 0.943 1.020