Dataset: KIT
Key Value Description Download
Target KIT gene id ###
Name Stem cell growth factor receptor protein name ###
Super-family Kinase protein class ###
PDB ID 3g0e the protein structure in TocoDDB click here
Pocket (x, y, z) 34.08, -3.27, -78.19 the center coordinate of the protein pocket click here
Actives 166 the number of active ligands ###
Topology decoys 8332 the number pf topology decoys click here
Conformation decoys 5587 the number of decoy conformations click here
Decoys 13919 the number of total decoys ###
Total 14085 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 1379 3 7 9 0.643 87.375 60.490 17.728 0.980 0.712 0.841