Dataset: BRAF
Key Value Description Download
Target BRAF gene id ###
Name Serine/threonine-protein kinase B-raf protein name ###
Super-family Kinase protein class ###
PDB ID 3d4q the protein structure in TocoDDB click here
Pocket (x, y, z) 83.93, 6.65, -7.52 the center coordinate of the protein pocket click here
Actives 168 the number of active ligands ###
Topology decoys 8336 the number pf topology decoys click here
Conformation decoys 4270 the number of decoy conformations click here
Decoys 12606 the number of total decoys ###
Total 12774 the size of TocoDDB click here
Source DUDE, DEKOIS the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 1249 0 5 13 0.839 70.389 70.389 18.994 0.960 0.916 1.011