Dataset: DRD3
Key Value Description Download
Target DRD3 gene id ###
Name Dopamine D3 receptor protein name ###
Super-family GPCR protein class ###
PDB ID 3pbl the protein structure in TocoDDB click here
Pocket (x, y, z) -0.04, -15.38, 10.54 the center coordinate of the protein pocket click here
Actives 480 the number of active ligands ###
Topology decoys 23905 the number pf topology decoys click here
Conformation decoys 16652 the number of decoy conformations click here
Decoys 40557 the number of total decoys ###
Total 41037 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 3973 9 11 36 0.783 81.437 72.865 19.618 0.990 0.861 0.928