Identification of inhibitors that target dual-specificity phosphatase 5 provide new insights into the binding requirements for the two phosphate pockets

Table 1 Structures, Docking Energies, and IC₅₀ Values of DUSP5 PD Inhibitors

Chemical structure	Docking energy (kcal/mol)	IC₅₀ from enzyme assay
SM1842	−9.69	5.1 ± 1.9 mM
	−9.69	26 ± 3 mM
RR505	−9.69	26 ± 3 mM
	−9.89	16 ± 2 mM
RR506	−9.89	16 ± 2 mM
	−8.48	6.4 ± 0.8 mM^a
Naphthalene trisulfonate (NTS)	−8.48	6.4 ± 0.8 mM^a
	NA	44 ± 6 μM^a (K _i = 25 ± 5 μM)^a
Suramin	NA	44 ± 6 μM^a (K _i = 25 ± 5 μM)^a

ISSN: 1471-2091