Dataset: FKB1A
Key Value Description Download
Target FKB1A gene id ###
Name Peptidyl-prolyl cis-trans isomerase protein name ###
Super-family Isomerase protein class ###
PDB ID 2dg3 the protein structure in TocoDDB click here
Pocket (x, y, z) 3.22, 12.46, 12.65 the center coordinate of the protein pocket click here
Actives 130 the number of active ligands ###
Topology decoys 6446 the number pf topology decoys click here
Conformation decoys 3659 the number of decoy conformations click here
Decoys 10105 the number of total decoys ###
Total 10235 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 951 2 2 5 0.714 102.857 76.190 20.000 0.999 0.827 0.993