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

Table 7.

Pharmacophoric elements of F7 CXCR3-CXCL10_AA-MD.

Pharmacophoric Element Residues (5 Å)
Arm A129, I133, L180, A183, L184, F187
HAc V126, A129, L130, I133, A183, F187, L198, N199, L286, A287, R288
HDn S36, L198, N199, L286, R288, N289
Hph V136, A129, L130, I133, A183, F187
NIn E31, L286, A287, R288

Bold is used to show the residues that are repeated in the different pharmacophoric elements. Arm: aromatic rings and Nin: negative-charged groups.