Dataset: FGFR1
Key Value Description Download
Target FGFR1 gene id ###
Name Fibroblast growth factor receptor 1 protein name ###
Super-family Kinase protein class ###
PDB ID 3c4f the protein structure in TocoDDB click here
Pocket (x, y, z) 6.18, 3.34, 17.86 the center coordinate of the protein pocket click here
Actives 161 the number of active ligands ###
Topology decoys 8057 the number pf topology decoys click here
Conformation decoys 3326 the number of decoy conformations click here
Decoys 11383 the number of total decoys ###
Total 11544 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 932 3 5 9 0.692 50.839 60.254 14.422 0.959 0.618 0.815