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. 2020 Aug 11;9:e56416. doi: 10.7554/eLife.56416

Table 2. Selection of diamidine analogues with aromatic linkers.

graphic file with name elife-56416-inf2.jpg
Compound R1 R2 Ar X Y Ki
(µM)		 δ(ΔG0) PMD (kJ/mol)
DB75 Am Am graphic file with name elife-56416-inf3.jpg CH CH 38.2 ± 10.2 17.3
DB607 Am OCH3 graphic file with name elife-56416-inf4.jpg CH CH 18.1 ± 1.9 15.5
DB960 Am NMBa graphic file with name elife-56416-inf5.jpg CH CH 16.6 ± 3.5 15.3
DB994 Am Am graphic file with name elife-56416-inf6.jpg N CH 167 ± 20 21.0
DB829 Am Am graphic file with name elife-56416-inf7.jpg CH N 39.9 ± 8.0 17.4
DB1061 EtAm EtAm graphic file with name elife-56416-inf8.jpg CH CH 32.3 ± 6.0 16.9
DB1062 2MeIm 2MeIm graphic file with name elife-56416-inf9.jpg CH CH 59.6 ± 11.2 18.4
ER1004 Am Am graphic file with name elife-56416-inf10.jpg CH CH 68.7 ± 16.0 18.8
DB320 Am Am graphic file with name elife-56416-inf11.jpg CH CH 71.3 ± 12.1 18.9
DB686 Gua Gua graphic file with name elife-56416-inf12.jpg CH CH 0.29 ± 0.11 5.2
DB1063 EtAm EtAm graphic file with name elife-56416-inf13.jpg CH CH 0.40 ± 0.10 6.0
DB1064 2MeIm 2MeIm graphic file with name elife-56416-inf14.jpg CH CH 3.0 ± 0.82 11.0
DB1213 Am Am graphic file with name elife-56416-inf15.jpg CH CH 0.72 ± 0.17 7.5
DB1077 Am Am graphic file with name elife-56416-inf16.jpg CH CH 13.8 ± 3.1 14.8
DB914 Am Am graphic file with name elife-56416-inf17.jpg CH CH 0.073 ± 0.013 1.8

Am, amidine; Im, imidazole; EtAm, ethylamidine; 2MeIm, 2-methylimidazoline; NMB, N-methyl benzimidazole. aThis compound lacks the second benzene ring and features the terminal NMB moiety instead. Ki is the inhibition constant for [3H]-pentamidine transport by TbAQP2/HAPT1. δ(ΔG0) PMD is the difference in Gibbs Free Energy of interaction of the substrate with TbAQP2 with the same value for pentamidine (PMD). All Ki values are the average and SEM of at least 3–4 independent experiments.