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Table 7 Different binding patterns of 22 hit compounds

From: Virtual screening and experimental validation of novel histone deacetylase inhibitors

Binding patterns Hit names Interaction types Pharmacophore interaction regions
1 ZINC01895726, ZINC02639234, ZINC06178852, ZINC23140995, ZINC23141716, ZINC23143331, ZINC23886004, ZINC58161863, ZINC60063267, ZINC67907864, ZINC84111476 metal chelate bonds and hydrogen bonds ZBG domain
2 ZINC03307410, ZINC06415107, ZINC06497704, ZINC09350495, ZINC12555961, ZINC23141899 metal chelate bonds and hydrogen bonds ZBG domain and linker domain
3 ZINC11325463 metal chelate bonds and hydrogen bonds ZBG domain and cap group domain
4 ZINC03260906, ZINC09715944 metal chelate bonds and hydrogen bonds ZBG domain, linker domain and cap group domain
5 ZINC02627831, ZINC12581173 hydrogen bonds ZBG domain or linker domain