Table 1 31P chemical shift assignments of phosphate in the free oligonucleotides and in the complex with 1a,b. Oligonucleotide “CG” corresponds to duplex d(CGTACG)2 and “AATT” is duplex d(AAGAATTCTT)2.

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

“CG”

δ (ppm)

Δδc

“AATT”

δ (ppm)

Δδc

C1pG2

 − 0.27

 + 0.07

A1pA2

broad

n.d

G2pT3

 − 0.49

 + 0.21

A2pG3

 − 0.25

 + 0.07

T3pA4

 − 0.13

 + 0.26

G3pA4

 − 0.5d

0.00

A4pC5

 − 0.54

 − 0.07

A4pA5

broad

n.d

C5pG6

 + 0.04

 + 0.24

A5pT6

broad

n.d

 − 

  

T6pT7

 − 0.45d

 + 0.05

 − 

  

T7pC8

 − 0.38

 + 0.07

 − 

  

C8pT9

 − 0.50d

0.00

 − 

  

T9pT10

 − 0.38

0.00

  1. aMeasured at 15 °C in ppm (δ) from external DSS. Solvent H2O–D2O (90:10 v/v), of 0.1 M NaCl and 10 mM sodium phosphate buffer solution, pH = 7.0.
  2. bR = 2.0.
  3. cΔδ = δbound − δfree.
  4. dThe assignment might be interchanged.