Dataset: QPCT
Key Value Description Download
Target QPCT gene id ###
Name Glutaminyl-peptide cyclotransferase protein name ###
Super-family Transferase protein class ###
PDB ID 2afx the protein structure in TocoDDB click here
Pocket (x, y, z) -13.71, 4.00, 22.47 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2037 the number pf topology decoys click here
Conformation decoys 840 the number of decoy conformations click here
Decoys 2877 the number of total decoys ###
Total 2917 the size of TocoDDB click here
Source DEKOIS the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 282 0 1 1 0.667 142.000 71.000 10.143 0.897 0.513 0.757