Dataset: TYSY
Key Value Description Download
Target TYSY gene id ###
Name Thymidylate synthase protein name ###
Super-family Transferase protein class ###
PDB ID 1syn the protein structure in TocoDDB click here
Pocket (x, y, z) 14.93, 13.52, 34.38 the center coordinate of the protein pocket click here
Actives 109 the number of active ligands ###
Topology decoys 5497 the number pf topology decoys click here
Conformation decoys 3852 the number of decoy conformations click here
Decoys 9349 the number of total decoys ###
Total 9458 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 926 3 1 10 0.833 64.091 75.960 20.000 0.999 0.856 1.010