Table 2. Number of Compounds, Fragments, And Types of Fragments for Each Target in the DUD-E Diverse Subseta.
| target | no. of compds | no. of fragments | no. of types of fragments |
|---|---|---|---|
| AKT1 | 16 743 | 97 119 (×5.8) | 8536 (×0.51) |
| AMPC | 2898 | 11 848 (×4.1) | 2843 (×0.98) |
| CP3A4 | 11 970 | 69 612 (×5.8) | 8348 (×0.70) |
| CXCR4 | 3446 | 18 801 (×5.5) | 2848 (×0.83) |
| GCR | 15 258 | 73 662 (×4.8) | 8378 (×0.55) |
| HIVPR | 36 286 | 247 065 (×6.8) | 11 098 (×0.31) |
| HIVRT | 19 229 | 88 673 (×4.6) | 11 129 (×0.58) |
| KIF11 | 6966 | 33 601 (×4.8) | 5415 (×0.78) |
a
The ratios to the number of compounds are shown in parentheses.