Dataset: HDAC2
Key Value Description Download
Target HDAC2 gene id ###
Name Histone Deacetylase 2 protein name ###
Super-family Hydrolase protein class ###
PDB ID 3max the protein structure in TocoDDB click here
Pocket (x, y, z) 66.47, 29.60, 1.38 the center coordinate of the protein pocket click here
Actives 199 the number of active ligands ###
Topology decoys 9972 the number pf topology decoys click here
Conformation decoys 3513 the number of decoy conformations click here
Decoys 13485 the number of total decoys ###
Total 13684 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 1257 4 3 4 0.533 120.762 75.476 17.252 0.945 0.570 0.774