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Scaffold hopping from (5-hydroxymethyl) isophthalates to multisubstituted pyrimidines diminishes binding affinity to the C1 domain of protein kinase C

Fig 1

Scaffolds comparison.

Comparison of the HMI scaffold (left) with the symmetrical 2,4,6-trisubstituted pyrimidine (center) and the asymmetrical 2,4,5,6-tetrasubstituted pyrimidine (right) scaffolds. Common moieties are color-coded: H-bond donor/acceptor hydroxy groups are shown in blue, carbonyl H-bond acceptor oxygens in red and hydrophobic substituents R in green.

Fig 1

doi: https://doi.org/10.1371/journal.pone.0195668.g001