Dataset: SAHH
Key Value Description Download
Target SAHH gene id ###
Name Adenosylhomocysteinase protein name ###
Super-family Adenosylhomocysteinase protein class ###
PDB ID 1li4 the protein structure in TocoDDB click here
Pocket (x, y, z) 46.54, -19.73, 102.79 the center coordinate of the protein pocket click here
Actives 63 the number of active ligands ###
Topology decoys 3114 the number pf topology decoys click here
Conformation decoys 392 the number of decoy conformations click here
Decoys 3506 the number of total decoys ###
Total 3569 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 344 1 0 6 0.923 58.500 58.500 20.647 1.000 1.000 1.258