Location in hypothetical hydrophobic subpockets of substituents from representative conformations obtained for the 5-molecule FPR2 template and alignments on this template of previously reported FPR agonists
| Compound | Subpocket | ||
|---|---|---|---|
| I | II | III | |
| Template | |||
| AG-10/8 | 4-Bromophenyl | Benzyl | 2-Oxoazepan-3-yl |
| PD168368 | 4-Nitrophenyl | 3-indolyl | 1-(2-Pyridyl)-1-cyclohexyl |
| Frohn-11 | 5-Methoxy-indole | Benzimidazol-1-yl | Ethyl |
| AG-10/5 | 4-Bromophenyl | Benzyl | 1-Piperidyl |
| AG-10/17 | 4-Bromophenyl | 1,3-Benzodioxol-5-yl | 1,3-Benzodioxol-5-yl |
| Alignment | |||
| Cilibrizzi-14x | 4-Bromophenyl | Methyl | 4-Methoxybenzyl |
| Bürli-25 | 4-Bromophenyl | Methyl oriented to subpocket II | Phenyl |
| AG-09/3 | 4-Bromophenyl | 4-Fluorophenyl | |
| AG-09/4 | 4-Bromophenyl | 3-Chlorophenyl | |
| AG-09/5 | 4-Chlorophenyl | 2-Nitrophenyl located between subpockets II and III; nitro group oriented to subpocket II | |
| AG-09/6 | 4-Methoxyphenyl | 2-Thienyl | |
| AG-09/8 | 4-Nitrophenyl | Fused benzene ring | 4-Methoxyphenyl |
| AG-09/9 | 4-Methoxyphenyl | Thiazolidin-4-one-3-yl | Fused benzene ring |
| AG-09/10 | 4-Methoxyphenyl | 1-Piperidyl | |
| AG-09/42 | 4-Bromophenyl | 4-Methoxyphenyl | |