Dataset: MTORC1
Key Value Description Download
Target MTORC1 gene id ###
Name Mechanistic target of rapamycin protein name ###
Super-family Kinase protein class ###
PDB ID 4dri the protein structure in TocoDDB click here
Pocket (x, y, z) 35.38, 49.65, 36.21 the center coordinate of the protein pocket click here
Actives 97 the number of active ligands ###
Topology decoys 4856 the number pf topology decoys click here
Conformation decoys 2319 the number of decoy conformations click here
Decoys 7175 the number of total decoys ###
Total 7272 the size of TocoDDB click here
Source LIT-PCBA the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 712 1 9 0 0.000 53.481 22.921 11.142 0.895 0.202 0.457