Dataset: PUR2
Key Value Description Download
Target PUR2 gene id ###
Name GAR transformylase protein name ###
Super-family Other protein class ###
PDB ID 1njs the protein structure in TocoDDB click here
Pocket (x, y, z) 75.08, 23.06, 30.97 the center coordinate of the protein pocket click here
Actives 50 the number of active ligands ###
Topology decoys 2485 the number pf topology decoys click here
Conformation decoys 1123 the number of decoy conformations click here
Decoys 3608 the number of total decoys ###
Total 3658 the size of TocoDDB click here
Source DUDE the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 358 1 0 5 0.909 72.800 72.800 20.222 1.000 1.000 1.248