From: Rehabilitating drug-induced long-QT promoters: In-silico design of hERG-neutral cisapride analogues with retained pharmacological activity
Cisapride derivatives
2D structure
Glide XP docking score @A2A(kcal/mol)
Glide XP docking score @hERG1 PD (kcal/mol)
ZINC05998832
-9.45
-4.62
ZINC58529167
-7.57
-4.51
ZINC13834042
-7.39
-5.51
ZINC20621758
-7.22
-5.67
ZINC43023913
-7.21
-5.01