Table 1 Physico-chemical properties of the actives for the seven targets
Protein | No. of heavy atoms | Molecular weight | No. of rotatable bonds | Volume (Å 3 ) |
|---|---|---|---|---|
RNAse (8 actives) | 21 – 50 | 322 – 791 | 4 – 14 | 253 – 613 |
FX (9 actives) | 29 – 41 | 427 – 548 | 5 – 12 | 411 – 616 |
ER (10 actives) | 29 – 45 | 390 – 458 | 7 – 15 | 450 – 483 |
CDK (10 actives) | 18 – 31 | 241 – 449 | 1 – 7 | 250 – 447 |
TK (10 actives) | 13 – 21 | 186 – 369 | 4 – 7 | 181 – 243 |
NA (10 actives) | 17 – 25 | 237 – 350 | 4 – 10 | 236 – 376 |
CBXpe (8 actives) | 12 – 16 | 121 – 290 | 2 – 5 | 108 – 177 |