Journal of Computational Medicine

Review Article

SAR and Computer-Aided Drug Design Approaches in the Discovery of Peroxisome Proliferator-Activated Receptor γ Activators: A Perspective

Table 3

List of PPARγ crystal structures deposited in the PDB databank as of 23/11/2012. Resolution and primary citation for each structure are also given.


PDB ID	Resolution	Protein	Year	Ligand name	Reference

1FM9	2.10	PPARγ	2000	2-(2-BENZOYL-PHENYLAMINO)-3-(4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL)-PROPIONICACID	[22]
1GWX	2.50	PPARδ	1999	2-(4-(3-[1-[2-(2-CHLORO-6-FLUORO-PHENYL)-ETHYL]-3-(2,3-DICHLORO-PHENYL)-UREIDO]-PROPYL)-PHENOXY)-2-METHYL-PROPIONICACID	[23]
1I7G	2.20	PPARα	2001	(2S)-2-ETHOXY-3-[4-(2-(4-[(METHYLSULFONYL)OXY]PHENYL)ETHOXY)PHENYL]PROPANOICACID	[24]
1I7I	2.35	PPARγ	2001	(2S)-2-ETHOXY-3-[4-(2-(4-[(METHYLSULFONYL)OXY]PHENYL)ETHOXY)PHENYL]PROPANOICACID	[24]
1K7L	2.50	PPARα	2001	2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-(4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL)-PROPIONICACID	[25]
1KKQ	3.00	PPARα	2002	N-((2S)-2-(((1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL)AMINO)-3-(4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL)PROPYL)PROPANAMIDE	[26]
1KNU	2.50	PPARγ	2002	(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PHENYL)-2-ETHOXY-PROPIONICACID	[27]
1NYX	2.65	PPARγ	2003	(2S)-2-ETHOXY-3-(4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL)PROPANOICACID	[28]
1PRG	2.20	PPARγ	1998		[16]
1WM0	2.90	PPARγ	2004	2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOICACID	[29]
1Y0S	2.65	PPARδ	2000	(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-METHYLBUTYRICACID	[30]
1ZEO	2.50	PPARγ	2005	(2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)OXY]ACETATE	[31]
1ZGY	1.80	PPARγ	2005	2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)	[32]
2ATH	2.28	PPARγ	2005	2-(5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL)ETHANOICACID	[33]
2AWH	2.00	PPARδ	2006	HEPTYL-BETA-D-GLUCOPYRANOSIDE	[34]
2B50	2.00	PPARδ	2006	HEPTYL-BETA-D-GLUCOPYRANOSIDE	[34]
2BAW	2.30	PPARδ	2006	HEPTYL-BETA-D-GLUCOPYRANOSIDE	[35]
2ENV	Solution structure	PPARδ	To be published	ZINC ION
2F4B	2.07	PPARγ	2006	(5-(3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY)-1H-INDOL-1-YL)ACETICACID	[36]
2FVJ	1.99	PPARγ	2006	GLYCEROL	[37]
2G0G	2.54	PPARγ	2006	3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE	[38]
2G0H	2.30	PPARγ	2006	N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]-3,5-BIS(TRIFLUOROMETHYL)BENZENESULFONAMIDE	[38]
2GTK	2.10	PPARγ	2006	(2S)-3-(1-([2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL)-1H-INDOL-5-YL)-2-ETHOXYPROPANOICACID	[39]
2GWX	2.30	PPARδ	1999		[23]
2HFP	2.00	PPARγ	2006	3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-INDOLE-2-CARBOXAMIDE	[40]
2HWQ	1.97	PPARγ	2006	[(1-(3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL)-1H-INDOL-5-YL)OXY]ACETICACID	[41]
2HWR	2.34	PPARγ	2006	2-[(1-(3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL)-1H-INDOL-4-YL)OXY]-2-METHYLPROPANOICACID	[41]
2I4J	2.10	PPARγ	2007	(2R)-2-(4-(2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL)PHENOXY)-2-METHYLBUTANOICACID	[42]
2I4P	2.10	PPARγ	2007	(2S)-2-(4-(2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL)PHENOXY)-2-METHYLBUTANOICACID	[42]
2I4Z	2.25	PPARγ	2007	(2S)-2-(4-(2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL)PHENOXY)-2-METHYLBUTANOICACID	[42]
2J14	2.80	PPARδ	2006	(3-(4-[2-(2,4-DICHLORO-PHENOXY)-ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL-3-YL)-PHENYL)-ACETICACID	[43]
2NPA	2.30	PPARα	2007	(2R,3E)-2-(4-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)METHOXY]BENZYL)-3-(PROPOXYIMINO)BUTANOICACID	[44]
2OM9	2.80	PPARγ	2007	(6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-TETRAHYDRO-6H-BENZO[C]CHROMENE-9-CARBOXYLICACID	[45]
2P4Y	2.25	PPARγ	2008	(2R)-2-(4-CHLORO-3-([3-(6-METHOXY-1,2-BENZISOXAZOL-3-YL)-2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-1-YL]METHYL)PHENOXY)PROPANOICACID	[46]
2P54	1.79	PPARα	2007	2-METHYL-2-(4-([((4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL)CARBONYL)AMINO]METHYL)PHENOXY)PROPANOICACID	[47]
2POB	2.30	PPARγ	2007	N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-3-(4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL)PROPYL]ACETAMIDE	[48]
2PRG	2.30	PPARγ	1998	2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)	[16]
2Q59	2.20	PPARγ	2007	(2S)-2-(2-([1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL)PHENOXY)PROPANOICACID	[49]
2Q5G	2.70	PPARδ	2007	[(7-([2-(3-MORPHOLIN-4-YLPROP-1-YN-1-YL)-6-([4-(TRIFLUOROMETHYL)PHENYL]ETHYNYL)PYRIDIN-4-YL]THIO)-2,3-DIHYDRO-1H-INDEN-4-YL)OXY]ACETICACID	[50]
2Q5P	2.30	PPARγ	2007	(2S)-2-(3-([1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL)PHENOXY)PROPANOICACID	[49]
2Q5S	2.05	PPARγ	2007	5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLICACID	[49]
2Q61	2.20	PPARγ	2007	1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLICACID	[49]
2Q6R	2.41	PPARγ	2007	5-CHLORO-1-(3-METHOXYBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLICACID	[49]
2Q6S	2.40	PPARγ	2007		[49]
2Q8S	2.30	PPARγ	2008	(2S)-3-(4-[3-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)PROPYL]PHENYL)-2-(1H-PYRROL-1-YL)PROPANOICACID	[51]
2QMV	Solution NMR	PPARγ	To be published
2REW	2.35	PPARα	To be published	N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE
2VSR	2.05	PPARγ	2008	(9S,10E,12Z)-9-HYDROXYOCTADECA-10,12-DIENOICACID	[52]
2VST	2.35	PPARγ	2008	(9Z,11E,13S)-13-HYDROXYOCTADECA-9,11-DIENOICACID	[52]
2VV0	2.55	PPARγ	2008	DOCOSA-4,7,10,13,16,19-HEXAENOICACID	[52]
2VV1	2.20	PPARγ	2008	(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-HYDROXYDOCOSA-5,7,10,13,16,19-HEXAENOICACID	[52]
2VV2	2.75	PPARγ	2008	(5R,6E,8Z,11Z,14Z,17Z)-5-HYDROXYICOSA-6,8,11,14,17-PENTAENOICACID	[52]
2VV3	2.85	PPARγ	2008	(6E,10Z,13Z,16Z,19Z)-4-OXODOCOSA-6,10,13,16,19-PENTAENOICACID	[52]
2VV4	2.35	PPARγ	2008	(8R,9Z,12Z)-8-HYDROXY-6-OXOOCTADECA-9,12-DIENOICACID	[52]
2XKW	2.02	PPARγ	To be published	(5R)-5-(4-[2-(5-ETHYLPYRIDIN-2-YL)ETHOXY]BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE
2XYJ	2.30	PPARδ	2011	PENTAETHYLENE GLYCOL	[53]
2XYW	3.14	PPARδ	2011	3-CHLORO-6-FLUORO-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]-1-BENZOTHIOPHENE-2-CARBOXAMIDE	[53]
2XYX	2.70	PPARδ	2011	B-OCTYLGLUCOSIDE	[53]
2YFE	2.00	PPARγ	2012	AMORFRUTIN 1	[54]
2ZK0	2.36	PPARγ	2009		[55]
2ZK1	2.61	PPARγ	2009	(5E,14E)-11-OXOPROSTA-5,9,12,14-TETRAEN-1-OICACID	[55]
2ZK2	2.26	PPARγ	2009	GLUTATHIONE	[55]
2ZK3	2.58	PPARγ	2009	(5E,11E,14E)-8-OXOICOSA-5,9,11,14-TETRAENOICACID	[55]
2ZK4	2.57	PPARγ	2009	(5E,8E,11Z,13E)-15-OXOICOSA-5,8,11,13-TETRAENOICACID	[55]
2ZK5	2.45	PPARγ	2009	3-[5-(2-NITROPENT-1-EN-1-YL)FURAN-2-YL]BENZOICACID	[55]
2ZK6	2.41	PPARγ	2010	DIFLUORO(5-(2-[(5-OCTYL-1H-PYRROL-2-YL-KAPPAN)METHYLIDENE]-2H-PYRROL-5-YL-KAPPAN)PENTANOATO)BORON	[56]
2ZNN	2.01	PPARα	2009	(2S)-2-(4-PROPOXY-3-([((4-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]PHENYL)CARBONYL)AMINO]METHYL)BENZYL)BUTANOICACID	[57]
2ZNO	2.40	PPARγ	2009	(2S)-2-(4-PROPOXY-3-([((4-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]PHENYL)CARBONYL)AMINO]METHYL)BENZYL)BUTANOICACID	[57]
2ZNP	3.00	PPARδ	2009	HEPTYL-BETA-D-GLUCOPYRANOSIDE	[57]
2ZNQ	2.65	PPARδ	2009	(2S)-2-(3-[(([2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]CARBONYL)AMINO)METHYL]-4-METHOXYBENZYL)BUTANOICACID	[57]
2ZVT	1.90	PPARγ	2009	(5E,14E)-11-OXOPROSTA-5,9,12,14-TETRAEN-1-OICACID	[58]
3ADS	2.25	PPARγ	2010	INDOMETHACIN	[56]
3ADT	2.70	PPARγ	2010	(5-HYDROXY-1H-INDOL-3-YL)ACETICACID	[56]
3ADU	2.77	PPARγ	2010	(5-METHOXY-1H-INDOL-3-YL)ACETICACID	[56]
3ADV	2.27	PPARγ	2010	SEROTONIN	[56]
3ADW	2.07	PPARγ	2010	(5-METHOXY-1H-INDOL-3-YL)ACETICACID	[56]
3ADX	1.95	PPARγ	2010	INDOMETHACIN	[56]
3AN3	2.30	PPARγ	2011	(2S)-2-BENZYL-3-(4-PROPOXY-3-([((4-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]PHENYL)CARBONYL)AMINO]METHYL)PHENYL)PROPANOICACID	[59]
3AN4	2.30	PPARγ	2011	(2R)-2-BENZYL-3-(4-PROPOXY-3-([((4-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]PHENYL)CARBONYL)AMINO]METHYL)PHENYL)PROPANOICACID	[59]
3B0Q	2.10	PPARγ	To be published	(5S)-5-((6-[(2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL)METHYL)-1,3-THIAZOLIDINE-2,4-DIONE
3B0R	2.15	PPARγ	To be published	2-CHLORO-5-NITRO-N-PHENYLBENZAMIDE
3B1M	1.60	PPARγ	2011	(9AS)-8-ACETYL-N-[(2-ETHYLNAPHTHALEN-1-YL)METHYL]-1,7-DIHYDROXY-3-METHOXY-9A-METHYL-9-OXO-9,9A-DIHYDRODIBENZO[B,D]FURAN-4-CARBOXAMIDE	[60]
3B3K	2.60	PPARγ	2008	(2S)-2-(BIPHENYL-4-YLOXY)-3-PHENYLPROPANOICACID	[61]
3BC5	2.27	PPARγ	2009	(5-(3-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]BENZYL)-2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)ACETICACID	[62]
3CDP	2.80	PPARγ	To be published	(2S)-2-(4-CHLOROPHENOXY)-3-PHENYLPROPANOICACID
3CDS	2.65	PPARγ	2008	(2S)-2-(4-ETHYLPHENOXY)-3-PHENYLPROPANOICACID	[61]
3CS8	2.30	PPARγ	2008	2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)	[63]
3CWD	2.40	PPARγ	2008	(9E,12Z)-10-NITROOCTADECA-9,12-DIENOICACID	[64]
3D5F	2.20	PPARδ	To be published	(4-[3-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PROPOXY]PHENOXY)ACETICACID
3D6D	2.40	PPARγ	2008	(2S)-2-(BIPHENYL-4-YLOXY)-3-PHENYLPROPANOICACID	[61]
3DY6	2.90	PPARδ	2008	2-(([3-(3,4-DIHYDROISOQUINOLIN-2(1H)-YLSULFONYL)PHENYL]CARBONYL)AMINO)BENZOICACID	[65]
3ET0	2.40	PPARγ	2009	S,S-(2-HYDROXYETHYL)THIOCYSTEINE	[66]
3ET1	2.50	PPARα	2009	3-(5-METHOXY-1-[(4-METHOXYPHENYL)SULFONYL]-1H-INDOL-3-YL)PROPANOICACID	[66]
3ET2	2.24	PPARδ	2009	1-BUTANOL	[66]
3ET3	1.95	PPARγ	2009	3-(5-METHOXY-1-[(4-METHOXYPHENYL)SULFONYL]-1H-INDOL-3-YL)PROPANOICACID	[66]
3FEI	2.40	PPARα	2009	(2S)-3-(4-([2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL]METHOXY)-2-METHYLPHENYL)-2-ETHOXYPROPANOICACID	[67]
3FEJ	2.01	PPARγ	2009	(2S)-3-(4-([2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL]METHOXY)-2-METHYLPHENYL)-2-ETHOXYPROPANOICACID	[67]
3FUR	2.30	PPARγ	2009	CHLORIDE ION	[68]
3G8I	2.20	PPARα	2009	(2S)-2-METHOXY-3-(4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]-1-BENZOTHIOPHEN-7-YL)PROPANOICACID	[69]
3G9E	2.30	PPARγ	2009	(2S)-2-METHOXY-3-(4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]-1-BENZOTHIOPHEN-7-YL)PROPANOICACID	[69]
3GBK	2.30	PPARγ	2009	2-[(1-(3-[4-(BIPHENYL-4-YLCARBONYL)-2-PROPYLPHENOXY]PROPYL)-1,2,3,4-TETRAHYDROQUINOLIN-5-YL)OXY]-2-METHYLPROPANOICACID	[70]
3GWX	2.40	PPARδ	1999	5,8,11,14,17-EICOSAPENTAENOICACID	[23]
3GZ9	2.00	PPARδ	2009	HEPTYL-BETA-D-GLUCOPYRANOSIDE	[71]
3HO0	2.60	PPARγ	2009	(2S)-2-(4-PHENETHYLPHENOXY)-3-PHENYL-PROPANOICACID	[72]
3HOD	2.10	PPARγ	2009	(2S)-2-(4-BENZYLPHENOXY)-3-PHENYLPROPANOICACID	[72]
3IA6	2.31	PPARγ	2009	(2S)-3-(4-[3-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)PROPYL]PHENYL)-2-(2H-1,2,3-TRIAZOL-2-YL)PROPANOICACID	[73]
3K8S	2.55	PPARγ	2008	2-CHLORO-N-(3-CHLORO-4-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)SULFANYL]PHENYL)-4-(TRIFLUOROMETHYL)BENZENESULFONAMIDE	[74]
3KDT	2.70	PPARα	2010	N-(3-([2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHOXY)BENZYL)-N-(METHOXYCARBONYL)GLYCINE	[75]
3KDU	2.07	PPARα	2010	N-(3-([2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHOXY)BENZYL)-N-[(4-METHYLPHENOXY)CARBONYL]GLYCINE	[75]
3KMG	2.10	PPARγ	To be published	4′-[(2,3-DIMETHYL-5-([(1S)-1-PHENYLPROPYL]CARBAMOYL)-1H-INDOL-1-YL)METHYL]BIPHENYL-2-CARBOXYLICACID
3LMP	1.90	PPARγ	2010	(9AS)-8-ACETYL-1,7-DIHYDROXY-3-METHOXY-9A-METHYL-N-(1-NAPHTHYLMETHYL)-9-OXO-9,9A-DIHYDRODIBENZO[B,D]FURAN-4-CARBOXAMIDE	[76]
3NOA	1.98	PPARγ	To be published	(5-(3-[4-(BIPHENYL-4-YLCARBONYL)-2-PROPYLPHENOXY]PROPOXY)-1H-INDOL-1-YL)ACETICACID
3OSI	2.70	PPARγ	2011	S-1,2-PROPANEDIOL	[77]
3OSW	2.55	PPARγ	2011	S-1,2-PROPANEDIOL	[77]
3OZ0	3.00	PPARδ	2011	[4-(((1S)-1-[(2,4-DICHLOROPHENYL)CARBAMOYL]-1,3-DIHYDRO-2H-ISOINDOL-2-YL)METHYL)-2-METHYLPHENOXY]ACETICACID	[78]
3PBA	2.30	PPARγ	2011	2,6-DIBROMO-4-[2-(3,5-DIBROMO-4-HYDROXYPHENYL)PROPAN-2-YL]PHENYL HYDROGEN SULFATE	[79]
3PEQ	2.40	PPARδ	2011	[(4-(BUTYL[2-METHYL-4′-(METHYLSULFANYL)BIPHENYL-3-YL]SULFAMOYL)NAPHTHALEN-1-YL)OXY]ACETICACID	[80]
3PRG	2.90	PPARγ	1998		[81]
3QT0	2.50	PPARγ	To be published	11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE
3R5N	2.00	PPARγ	2011	5,5′-DI(PROP-2-EN-1-YL)BIPHENYL-2,2′-DIOL	[82]
3R8A	2.41	PPARγ	2011	2-ETHYL-5,7-DIMETHYL-3-((1S)-5-[2-(1H-TETRAZOL-5-YL)PHENYL]-2,3-DIHYDRO-1H-INDEN-1-YL)-3H-IMIDAZO[4,5-B]PYRIDINE	[83]
3R8I	2.30	PPARγ	2011	2-(4-(2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL)PHENOXY)-2-METHYLPROPANOICACID	[84]
3SP6	2.21	PPARα	To be published	(5E)-5-[(3AS,4R,5R,6AS)-5-HYDROXY-4-[(1E,3S,4R)-3-HYDROXY-4-METHYLOCT-1-EN-6-YN-1-YL]HEXAHYDROPENTALEN-2(1H)-YLIDENE]PENTANOICACID
3SP9	2.30	PPARδ	To be published	(5E)-5-[(3AS,4R,5R,6AS)-5-HYDROXY-4-[(1E,3S,4R)-3-HYDROXY-4-METHYLOCT-1-EN-6-YN-1-YL]HEXAHYDROPENTALEN-2(1H)-YLIDENE]PENTANOICACID
3S9S	2.55	PPARγ	2011	1-(3,4-DICHLOROBENZYL)-2-METHYL-N-[(1R)-1-PHENYLPROPYL]-1H-BENZIMIDAZOLE-5-CARBOXAMIDE	[85]
3SZ1	2.30	PPARγ	2012	NONANOICACID	[86]
3TY0	2.00	PPARγ	2011	(5R)-5-(3-([3-(6-METHOXY-1,2-BENZOXAZOL-3-YL)-2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-1-YL]METHYL)PHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE	[87]
3T03	2.10	PPARγ	2012	(5Z)-5-(5-BROMO-2-METHOXYBENZYLIDENE)-3-(4-METHYLBENZYL)-1,3-THIAZOLIDINE-2,4-DIONE	[88]
3U9Q	1.52	PPARγ	2012	DECANOICACID	[89]
3V9T	1.65	PPARγ	2012	(9AS)-8-ACETYL-N-[(3-ETHOXYNAPHTHALEN-1-YL)METHYL]-1,7-DIHYDROXY-3-METHOXY-9A-METHYL-9-OXO-9,9A-DIHYDRODIBENZO[B,D]FURAN-4-CARBOXAMIDE	[90]
3V9V	1.60	PPARγ	2011	METHYL 3-(4-[(([(9AS)-8-ACETYL-1,7-DIHYDROXY-3-METHOXY-9A-METHYL-9-OXO-9,9A-DIHYDRODIBENZO[B,D]FURAN-4-YL]CARBONYL)AMINO)METHYL]NAPHTHALEN-2-YL)PROPANOATE	[90]
3VJH	2.20	PPARγ	2012	(2S)-2-[4-METHOXY-3-([[4-(TRIFLUOROMETHYL)BENZOYL]AMINO]METHYL)BENZYL]PENTANOICACID	[91]
3VJI	2.61	PPARγ	2012	(2S)-2-{4-BUTOXY-3-[({4-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]BENZOYL}AMINO)METHYL]BENZYL}BUTANOICACID	[91]
3V9Y	2.10	PPARγ	2012	4-(4-[(([(9AS)-8-ACETYL-1,7-DIHYDROXY-3-METHOXY-9A-METHYL-9-OXO-9,9A-DIHYDRODIBENZO[B,D]FURAN-4-YL]CARBONYL)AMINO)METHYL]NAPHTHALEN-2-YL)BUTANOICACID	[90]
3VN2	2.18	PPARγ	2012	4′-[(1,7′-DIMETHYL-2′-PROPYL-1H,3′H-2,5′-BIBENZIMIDAZOL-3′-YL)METHYL]BIPHENYL-2-CARBOXYLICACID	[92]
4PRG	2.90	PPARγ	1999	(+/−)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINE	[93]
4A4V	2.00	PPARγ	To be published	AMORFRUTIN 2
4A4W	2.00	PPARγ	To be published	AMORFRUTIN B
4F9M	1.90	PPARγ	2012	(9AS)-8-ACETYL-N-[(2-ETHYL-4-FLUORONAPHTHALEN-1-YL)METHYL]-1,7-DIHYDROXY-3-METHOXY-9A-METHYL-9-OXO-9,9A-DIHYDRODIBENZO[B,D]FURAN-4-CARBOXAMIDE