Dataset: DEF
Key Value Description Download
Target DEF gene id ###
Name Peptide deformylase protein name ###
Super-family Deformylase protein class ###
PDB ID 1lru the protein structure in TocoDDB click here
Pocket (x, y, z) -36.78, 25.59, 67.66 the center coordinate of the protein pocket click here
Actives 102 the number of active ligands ###
Topology decoys 5066 the number pf topology decoys click here
Conformation decoys 3513 the number of decoy conformations click here
Decoys 8579 the number of total decoys ###
Total 8681 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 854 0 3 7 0.824 86.400 86.400 20.093 0.999 0.944 1.057