Table 4. Inter-molecular NOE interactions between protons of the 1 with protons of Htela.
TTAGGG | 1 | Theoretical distances(Å) |
CH3 T2 | H1 or H4 | 4.31 (H4) |
H2′ A3 | H1 or H4 | 4.37 (H4) |
H2′ A3 | H2 or H3 | 4.33 (H3) |
H1′ A3 | H2 or H3 | 1.68 (H3) |
H3′, G4 or A3 | H3A | 3.96 (A3) |
The distances are calculated on the basis of the 1 best docked conformation.
Acquired at 25°C, R = [drug]/[DNA] = 3. 2′ H and 2″ H stand for low field and up field proton respectively.