Figure 3.
SILCS pharmacophore models for the eight protein targets with the crystal orientations of a representative ligand for each target: (a) HIVPR (PDB 3SAC); (b) FXa (PDB 1FJS); (c) DHFR (PDB 3DFR); (d) FGFr1 (PDB 3TT0); (e) P38 MAP (PDB 1OUY); (f) ADA (PDB 1NDW); (g) ER (PDB 3ERT); (h) AmpC (PDB 1XGJ). Protein atoms occluding the view of the pocket are removed to faacilitate visualization. The colors of the features are the same as used in Figure 2. Numbering indicates the rank ordering of the pharmacophore features based on the FGFE scores.