Dataset: KIF11
Key Value Description Download
Target KIF11 gene id ###
Name kinesin family member 11 protein name ###
Super-family Hydrolase protein class ###
PDB ID 3k5e the protein structure in TocoDDB click here
Pocket (x, y, z) 29.29, 13.68, 15.70 the center coordinate of the protein pocket click here
Actives 153 the number of active ligands ###
Topology decoys 7708 the number pf topology decoys click here
Conformation decoys 3623 the number of decoy conformations click here
Decoys 11331 the number of total decoys ###
Total 11484 the size of TocoDDB click here
Source DUDE, DEKOIS the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 1112 10 1 14 0.718 75.800 68.909 18.950 0.995 0.857 0.965