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. 2020 Sep 25;25(19):4413. doi: 10.3390/molecules25194413

Table 5.

Pharmacophoric elements of F0 CXCR3-CXCL10_CG-MD.

Pharmacophoric Element Residues (5 Å)
HAc A192, H194, D195, R212, M281, D282, G284, L286, A287, R288
HDn D195, E196, R197, N289, C290
Hph Y271, H272, L273, V275, L276, I279
PIn H194, D195, E196, R197, R288

Bold is used to show the residues that are repeated in the different pharmacophoric elements. HAc: hydrogen bond acceptors, HDn: hydrogen bond donors, Hph: hydrophobic groups, and Pin: positive-charged groups.