Table 3 Intermolecular NOEs in the complexes of 1 with Pu22T14T23a and distances from modelling.

From: G-quadruplex binding properties of a potent PARP-1 inhibitor derived from 7-azaindole-1-carboxamide

  

d (Å)b

3′-binding site NOE

1

Pu22T14T23

 

H4, H5

G13H1

5.09, 5.59

H3

G18H1

5.50

5′-binding site NOE

H2

G7H1

5.55

H3

G16H1

3.74

H3

G5H8

4.52

H2

G20H1

4.89

  1. aAcquired at 25 °C in H2O–D2O (90:10 v/v), 25 mM K-phosphate buffer, 70 mM KCl, 1 mM EDTA, pH 6.9
  2. bDistances obtained by molecular modelling of the complex.
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