SVD analysis of the Ki values for independent components from a set of AC inhibitors
Pharmacophore | Individual Component | Ki a |
|---|---|---|
| μM | ||
| Base | Adenine | 2.9 |
| Guanine | 48.9 | |
| Cytidine | 175 | |
| Uracil | 110 | |
| Hypoxanthine | 4.6 | |
| Xanthine | 247,000 | |
| Ribose substituent | MANT | (0.0014 ± 0.001) × 10−3 |
| TNP | 0.003 | |
| Phosphate | P | 571,000 |
| PP | 443 | |
| PPP | 0.06 | |
| PPSP | 0.45 | |
|
| PPNP | 0.48 |
P, monophosphate; PP, diphosphate; PPP, triphosphate; PPSP, [γ-thio]-triphosphate; and PPNP, [β,γ-imido]triphosphate.
↵ a The best-fit Ki values were derived from the experimental Ki values of 20 inhibitors (see Material and Methods) in the presence of FSK and GTPγS-activated Gαs.