Dataset: AMPC
Key Value Description Download
Target AMPC gene id ###
Name Beta-lactamase protein name ###
Super-family Lactamase protein class ###
PDB ID 1l2s the protein structure in TocoDDB click here
Pocket (x, y, z) 23.38, 5.83, 14.19 the center coordinate of the protein pocket click here
Actives 48 the number of active ligands ###
Topology decoys 2390 the number pf topology decoys click here
Conformation decoys 742 the number of decoy conformations click here
Decoys 3132 the number of total decoys ###
Total 3180 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 297 5 3 0 0.000 0.000 0.000 6.778 0.677 0.028 0.067