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. 2011 Dec 15;6(12):e28778. doi: 10.1371/journal.pone.0028778

Table 1. Aromatic ring stacking and hydrophobic interactions (HIA) between Y652 and F656 side chains and hERG antagonists in WT and Y652A mutant channels.

Compound WT Y652A
Y652 F656 ∑ HIA A652 F656 ∑ HIA
Thioridazine - 3 (t,p,e) 3 - 3 (t,p,e) 3
Bepridil 1 (p) 1 (e) 2 - 2 (e) 2
Propafenone 2 (t,e) 2 (t,e) 4 - 2 (e) 2
GPV0009 3 (t,2e) 1 (e) 4 - 1 (e) 1
Capsaicin - 1 (p) 1 - 1 (e) 1
Cisapride 2 (p,e) 2 (t,p) 4 - - 0
Dofetilide 2 (t,e) 2 (p,e) 4 - 1 (e) 1
E-4031 3 (t,2e) 2 (e) 5 - 2 (p,e) 2
Ibutilide 3 (e) - 3 - 1 (p) 1
MK-499 1 (e) 1 (e) 2 - - 0
Terfenadine 3 (t,2e) 2 (t,e) 5 - 1 (e) 1

(t = T-shaped stacking, p = parallel π-π-stacking, e = edge-to-edge interactions).