Dataset: TRYB1
Key Value Description Download
Target TRYB1 gene id ###
Name Tryptase beta-1 protein name ###
Super-family Protease protein class ###
PDB ID 2zec the protein structure in TocoDDB click here
Pocket (x, y, z) 25.13, 76.94, 83.47 the center coordinate of the protein pocket click here
Actives 148 the number of active ligands ###
Topology decoys 7377 the number pf topology decoys click here
Conformation decoys 5627 the number of decoy conformations click here
Decoys 13004 the number of total decoys ###
Total 13152 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 1290 0 8 5 0.556 100.231 53.970 15.420 0.957 0.591 0.714