Dataset: DHI1
Key Value Description Download
Target DHI1 gene id ###
Name 11-beta-Hydroxysteroid Dehydrogenase 1 protein name ###
Super-family Dehydrogenase protein class ###
PDB ID 3tfq the protein structure in TocoDDB click here
Pocket (x, y, z) 34.72, 33.46, 92.35 the center coordinate of the protein pocket click here
Actives 354 the number of active ligands ###
Topology decoys 17752 the number pf topology decoys click here
Conformation decoys 2585 the number of decoy conformations click here
Decoys 20337 the number of total decoys ###
Total 20691 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 1848 6 14 20 0.667 55.529 49.359 17.131 0.947 0.712 0.844