Dataset: HDAC8
Key Value Description Download
Target HDAC8 gene id ###
Name Histone Deacetylase 8 protein name ###
Super-family Hydrolase protein class ###
PDB ID 3sff the protein structure in TocoDDB click here
Pocket (x, y, z) 9.19, 13.62, -24.01 the center coordinate of the protein pocket click here
Actives 186 the number of active ligands ###
Topology decoys 9377 the number pf topology decoys click here
Conformation decoys 4817 the number of decoy conformations click here
Decoys 14194 the number of total decoys ###
Total 14380 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 1402 0 4 14 0.875 78.889 78.889 18.889 0.944 0.925 1.010