Dataset: GCR
Key Value Description Download
Target GCR gene id ###
Name Glucocorticoid receptor protein name ###
Super-family Nuclear protein class ###
PDB ID 1nhz the protein structure in TocoDDB click here
Pocket (x, y, z) -2.11, 12.20, 3.32 the center coordinate of the protein pocket click here
Actives 293 the number of active ligands ###
Topology decoys 14705 the number pf topology decoys click here
Conformation decoys 4620 the number of decoy conformations click here
Decoys 19325 the number of total decoys ###
Total 19618 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 1889 3 7 22 0.815 66.241 66.241 17.250 0.930 0.805 0.911