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. Author manuscript; available in PMC: 2022 Aug 23.
Published in final edited form as: Eur J Pharm Sci. 2020 Aug 12;154:105512. doi: 10.1016/j.ejps.2020.105512

Table 6.

Docking scores of active substances against representative crystal structures of HDAC-8.

Compound PDB-ID 3SFF PDB-ID 1T69 PDB-ID 1VKG

G1 −8.7 −6.3 −6.9
G3 −8.5 −7.0 −6.9
G6 −8.3 −7.4 −6.6
G9 −8.7 −7.5 −6.7
G11 −8.3 −7.5 −6.7
G13 −8.8 −8.0 −6.6
Ligand* −9.4 −12.1 −12.4
*

Ligand in respective crystal structure as reference.