Dataset: PRGR
Key Value Description Download
Target PRGR gene id ###
Name Progesterone Receptor protein name ###
Super-family Nuclear protein class ###
PDB ID 2w8y the protein structure in TocoDDB click here
Pocket (x, y, z) 10.34, 4.42, 7.82 the center coordinate of the protein pocket click here
Actives 304 the number of active ligands ###
Topology decoys 15236 the number pf topology decoys click here
Conformation decoys 253 the number of decoy conformations click here
Decoys 15489 the number of total decoys ###
Total 15793 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 1035 1 9 16 0.762 42.440 42.440 15.214 0.863 0.701 0.907