Scaffold hopping from (5-hydroxymethyl) isophthalates to multisubstituted pyrimidines diminishes binding affinity to the C1 domain of protein kinase C
Fig 2
Comparison of phorbol 13-acetate, HMI-1a3, 2b and 1f docked into the PKCδC1B domain (PDB: 1PTR).
(A) Phorbol 13-acetate; (B) HMI-1a3; (C) 2b; (D) 1f. Color code: carbon atoms are shown in grey, oxygen atoms in red, nitrogen atoms in blue and fluorine atoms in lime. Hydrogen bonds are represented as cyan dashed lines. View from the top of the binding site.