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.