Dataset: TGFR1
Key Value Description Download
Target TGFR1 gene id ###
Name TGF-beta receptor type I protein name ###
Super-family Kinase protein class ###
PDB ID 3hmm the protein structure in TocoDDB click here
Pocket (x, y, z) 15.25, 66.78, 5.22 the center coordinate of the protein pocket click here
Actives 133 the number of active ligands ###
Topology decoys 6657 the number pf topology decoys click here
Conformation decoys 2869 the number of decoy conformations click here
Decoys 9526 the number of total decoys ###
Total 9659 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 941 2 2 11 0.846 73.538 73.538 18.776 0.975 0.902 1.023