Dataset: AURKA
Key Value Description Download
Target AURKA gene id ###
Name Aurora A kinase protein name ###
Super-family Kinase protein class ###
PDB ID 3fdn the protein structure in TocoDDB click here
Pocket (x, y, z) -3.66, -31.97, 3.54 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2010 the number pf topology decoys click here
Conformation decoys 1321 the number of decoy conformations click here
Decoys 3331 the number of total decoys ###
Total 3371 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 330 0 2 2 0.667 83.500 55.667 10.438 0.894 0.529 0.787