Dataset: XIAP
Key Value Description Download
Target XIAP gene id ###
Name Inhibitor of apoptosis protein 3 protein name ###
Super-family Miscellaneous protein class ###
PDB ID 3hl5 the protein structure in TocoDDB click here
Pocket (x, y, z) 9.12, 12.26, -21.97 the center coordinate of the protein pocket click here
Actives 100 the number of active ligands ###
Topology decoys 5015 the number pf topology decoys click here
Conformation decoys 4400 the number of decoy conformations click here
Decoys 9415 the number of total decoys ###
Total 9515 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 920 3 0 9 0.857 103.556 92.049 20.261 1.000 0.971 1.071