Dataset: ESR2
Key Value Description Download
Target ESR2 gene id ###
Name Estrogen receptor beta protein name ###
Super-family Nuclear protein class ###
PDB ID 3oll the protein structure in TocoDDB click here
Pocket (x, y, z) -11.88, 36.59, 11.73 the center coordinate of the protein pocket click here
Actives 381 the number of active ligands ###
Topology decoys 19023 the number pf topology decoys click here
Conformation decoys 178 the number of decoy conformations click here
Decoys 19201 the number of total decoys ###
Total 19582 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 557 0 5 11 0.815 35.813 35.813 17.906 0.987 0.903 1.104