Table 4.
Fractions of ordinary and zwitterionic ampholytes present in drug, chemogenomic and screening datasets.
| Dataset | Proportion of total compounds (%) |
Fraction ordinary ampholytes (%) |
Fraction zwitterionic ampholytes (%) |
|---|---|---|---|
| Drugs | 9.5 | 53.9 | 46.1 |
|
| |||
| Aspartyl proteases | 5.0 | 90.8 | 9.2 |
| Cysteine proteases | 4.4 | 82.7 | 17.3 |
| GPCR amines | 7.4 | 42.9 | 57.1 |
| GPCR cannabinoid | 2.4 | 97.2 | 2.8 |
| GPCR nucleotide | 6.8 | 91.6 | 8.4 |
| GPCR class A other | 5.6 | 78.4 | 21.6 |
| GPCR peptide | 15.0 | 55.6 | 44.4 |
| GPCR prostaglandin | 24.5 | 28.0 | 72.0 |
| GPCR class B | 8.5 | 98.3 | 1.7 |
| GPCR class C | 9.2 | 62.0 | 38.0 |
| Integrins | 31.6 | 14.0 | 86.0 |
| Ligand-gated ion channel | 8.5 | 66.6 | 33.4 |
| Voltage-gated ion channel | 6.4 | 49.4 | 50.6 |
| Ion channel - other | 4.1 | 84.6 | 15.4 |
| Tyrosine kinases | 6.4 | 94.5 | 5.5 |
| Kinases – non tyrosine | 9.4 | 79.5 | 20.5 |
| Metalloproteases | 16.7 | 88.4 | 11.6 |
| Nuclear receptors | 16.5 | 85.4 | 14.6 |
| Oxido reductases | 7.4 | 79.4 | 20.6 |
| Oxygenases | 13.0 | 46.8 | 53.2 |
| Phosphodiesterases | 9.9 | 91.7 | 8.3 |
| Serine proteases | 8.8 | 26.8 | 73.2 |
| Transporters | 5.4 | 17.5 | 82.5 |
| Unknown targets | 10.3 | 52.3 | 47.7 |
|
| |||
| Vendors – drug-like clean | 4.8 | 95.8 | 4.2 |
| ‘Natural’ products | 6.7 | 59.3 | 40.7 |
| Vendors – clean leads | 5.1 | 94.1 | 5.9 |