Dataset: KAT2A
Key Value Description Download
Target KAT2A gene id ###
Name Histone acetyltransferase KAT2A protein name ###
Super-family Transferase protein class ###
PDB ID 5h86 the protein structure in TocoDDB click here
Pocket (x, y, z) -0.11, 5.73, 10.14 the center coordinate of the protein pocket click here
Actives 194 the number of active ligands ###
Topology decoys 9744 the number pf topology decoys click here
Conformation decoys 4594 the number of decoy conformations click here
Decoys 14338 the number of total decoys ###
Total 14532 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 1423 0 14 0 0.000 0.000 14.663 5.783 0.747 0.041 0.147