Dataset: PYRD
Key Value Description Download
Target PYRD gene id ###
Name Dihydroorotate dehydrogenase protein name ###
Super-family Dehydrogenase protein class ###
PDB ID 1d3g the protein structure in TocoDDB click here
Pocket (x, y, z) 51.25, 43.70, -2.42 the center coordinate of the protein pocket click here
Actives 111 the number of active ligands ###
Topology decoys 5580 the number pf topology decoys click here
Conformation decoys 610 the number of decoy conformations click here
Decoys 6190 the number of total decoys ###
Total 6301 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 586 4 3 8 0.696 54.636 54.636 18.212 0.907 0.804 0.997