From: Application of 3D Zernike descriptors to shape-based ligand similarity searching
Target | PDB | Actives | Decoys | Decoys per active |
---|---|---|---|---|
angiotensin-converting enzyme (ace) | 1o86 | 46 | 1796 | 39.04 |
acetylcholinesterase (ache) | 1eve | 100 | 3859 | 38.59 |
cyclin-dependent kinase 2(cdk2) | 1ckp | 47 | 2070 | 44.04 |
cyclooxygenase-2(cox2) | 1cx2 | 212 | 12606 | 59.46 |
epidermal growth factor receptor(egfr) | 1m17 | 365 | 15560 | 42.63 |
factor Xa(fxa) | 1f0r | 64 | 2092 | 32.69 |
HIV reverse transcriptase(hivrt) | 1rt1 | 34 | 1494 | 43.94 |
enoyl ACP reductase(inha) | 1p44 | 57 | 2707 | 47.49 |
P38 mitogen activated protein(p38) | 1kv2 | 137 | 6779 | 49.48 |
phosphodiesterase(pde5) | 1xp0 | 26 | 1698 | 65.31 |
platelet derived growth factor receptor kinase(pdgfrb) | 1t46 | 124 | 5603 | 45.19 |
tyrosine kinase SRC(src) | 2src | 98 | 5679 | 57.95 |
vascular endothelial growth factor receptor(vegfr2) | 1fgi | 48 | 2712 | 56.5 |