Table 5. Ligand Efficiency for Compounds Used in This Study.
compd | mass (Da) | KD (mM), 10 °C, pH 7 | ΔG (kJ·mol−1) | no. of non-H atoms | ligand efficiency (Δg = kJ·mol−1/non-H atom) |
---|---|---|---|---|---|
13 | 219.2 | 0.0019 ± 0.0002 | −32.62 | 16 | −2.04 |
CDP | 403.2 | 0.097 ± 0.006 | −21.75 | 26 | −0.87 |
7 | 305.2 | 0.925 ± 0.71 | −16.44 | 20 | −0.82 |
FLUC | 261.3 | 2.02 ± 0.42 | −14.60 | 18 | −0.81 |
CMP | 323.2 | 0.903 ± 0.107 | −16.49 | 21 | −0.79 |
AraCMP | 243.1 | 18.91 ± 5.8 | −9.34 | 21 | −0.44 |
CDV | 279.2 | ∼40 | −7.57 | 18 | −0.42 |