Table 2: The LBAs (p Kd) of telmisartan and GW590735 for their cognate and non-cognate receptors (red font) and the LBAs (p Kd) of 13-HODE and olmesartan. The average LBAs (p Kd) calculated from the 3 holo- PPAR complexes deposited on the pdb (Nov 2012) are included as a reference.


Preferred IUPAC name, rendered in MarvinSketch 17.13 [ 36 ] LBA (p K d)

PPAR isoform
δ γ α Ang(II)R
Average for all ligands in the PDB crystallographic depositions considered acceptable in this study 7.79 7.92 7.94
13-HODE (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid 5.86
Telmisartan 4'-{[4-methyl-6-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-propyl-1H-1,3-benzodiazol-1-yl]methyl}-[1,1'-biphenyl]-2-carboxylic acid 9.26 7.16 7.66
GW590735 5.75 7.84
Olmesartan 4-(2-hydroxypropan-2-yl)-2-propyl-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-imidazole-5-carboxylic acid 7.08