Dataset: WEE1
Key Value Description Download
Target WEE1 gene id ###
Name Serine/threonine-protein kinase WEE1 protein name ###
Super-family Kinase protein class ###
PDB ID 3biz the protein structure in TocoDDB click here
Pocket (x, y, z) 4.50, 53.90, 23.08 the center coordinate of the protein pocket click here
Actives 102 the number of active ligands ###
Topology decoys 5124 the number pf topology decoys click here
Conformation decoys 2526 the number of decoy conformations click here
Decoys 7650 the number of total decoys ###
Total 7752 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 757 0 0 10 1.000 76.700 76.700 20.184 1.000 1.000 1.111