Dataset: 17BETAHSD1
Key Value Description Download
Target 17BETAHSD1 gene id ###
Name 17-beta-Hydroxysteroid Dehydrogenase 1 protein name ###
Super-family Dehydrogenase protein class ###
PDB ID 3klm the protein structure in TocoDDB click here
Pocket (x, y, z) 11.05, 8.68, -11.92 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2048 the number pf topology decoys click here
Conformation decoys 715 the number of decoy conformations click here
Decoys 2763 the number of total decoys ###
Total 2803 the size of TocoDDB click here
Source DEKOIS the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 274 0 2 2 0.667 69.500 69.500 16.038 0.953 0.693 1.061