Dataset: THB
Key Value Description Download
Target THB gene id ###
Name Thyroid hormone receptor beta-1 protein name ###
Super-family Nuclear protein class ###
PDB ID 1q4x the protein structure in TocoDDB click here
Pocket (x, y, z) 13.66, 23.98, 46.49 the center coordinate of the protein pocket click here
Actives 103 the number of active ligands ###
Topology decoys 5180 the number pf topology decoys click here
Conformation decoys 254 the number of decoy conformations click here
Decoys 5434 the number of total decoys ###
Total 5537 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 369 0 1 9 0.947 37.900 37.900 21.056 1.000 1.000 1.237