Dataset: ANDR
Key Value Description Download
Target ANDR gene id ###
Name Androgen Receptor protein name ###
Super-family Nuclear protein class ###
PDB ID 2am9 the protein structure in TocoDDB click here
Pocket (x, y, z) 26.95, 2.06, 4.75 the center coordinate of the protein pocket click here
Actives 283 the number of active ligands ###
Topology decoys 14192 the number pf topology decoys click here
Conformation decoys 246 the number of decoy conformations click here
Decoys 14438 the number of total decoys ###
Total 14721 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 751 2 5 14 0.800 40.632 40.632 14.970 0.907 0.757 0.985