Dataset: AURKB
Key Value Description Download
Target AURKB gene id ###
Name Aurora B kinase protein name ###
Super-family Kinase protein class ###
PDB ID 2vgo the protein structure in TocoDDB click here
Pocket (x, y, z) 10.93, -0.32, 3.19 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 1978 the number pf topology decoys click here
Conformation decoys 1496 the number of decoy conformations click here
Decoys 3474 the number of total decoys ###
Total 3514 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 342 3 2 1 0.286 0.000 38.667 13.647 0.968 0.156 0.437