Dataset: SRC_SM
Key Value Description Download
Target SRC_SM gene id ###
Name Proto-oncogene tyrosine-protein kinase Src protein name ###
Super-family Kinase protein class ###
PDB ID 2src the protein structure in TocoDDB click here
Pocket (x, y, z) 17.49, 20.10, 58.93 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 1980 the number pf topology decoys click here
Conformation decoys 1666 the number of decoy conformations click here
Decoys 3646 the number of total decoys ###
Total 3686 the size of TocoDDB click here
Source DEKOIS the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 359 3 2 2 0.444 91.500 61.000 10.167 0.950 0.538 0.758