Table 3. Groupings for structure models based on envelope similarity. Protein Data Bank (PDB) and ligand identifiers match those used in Table 1.
| Group # | PDB ID | Pharmacophore model ligand ID |
|---|---|---|
| 1 | 1FM6, 1ZGY, 2PRG, 2VSR, 2VV2 | BRL1, MYI1, 9HO3, HXA3 |
| 2 | 1FM9, 1K74, 1RDT, 2I4Z, 2POB | BRL1, MYI1, SF22, ZXG2 |
| 3 | 2I4J, 2VSR, 2VST, 2VV0, 2VV1, 2VV2 | SF22, ZXG2, 9HO3, HXA3 |
| 4 | 2I4Z, 2P4Y, 2Q5P | SF22, ZXG2 |
| 5 | 2Q5S, 2Q6R | SF22, ZXG2 |
| 6 | 1WM0, 2FVJ, 2G0G, 2G0H, 2HFP, 2I4P, 2OM9, 2Q6S, 3B3K, 3CDP, 3CS8, 3DZU, 3DZY, 3E00, 4PRG |
Activity type indicated by the following:
full agonist,
partial agonist,
fatty acid