Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T58921 | Target Info | |||
| Target Name | Peroxisome proliferator-activated receptor gamma (PPAR-gamma) | ||||
| Synonyms | PPAR-gamma; Nuclear receptor subfamily 1 group C member 3; NR1C3 | ||||
| Target Type | Successful Target | ||||
| Gene Name | PPARG | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 3-Cyclohexyl-1-propylsulfonic acid | Ligand Info | |||
| Canonical SMILES | C1CCC(CC1)NCCCS(=O)(=O)O | ||||
| InChI | 1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13) | ||||
| InChIKey | PJWWRFATQTVXHA-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 70815 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 8DKV PPARg bound to JTP-426467 and Co-R peptide | ||||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [1] |
| PDB Sequence |
PESADLRALA
243 KHLYDSYIKS253 FPLTKAKARA263 ILTGKTTDKS273 PFVIYDMNSL283 MMGEDKPLQE 300 QSKEVAIRIF310 QGCQFRSVEA320 VQEITEYAKS330 IPGFVNLDLN340 DQVTLLKYGV 350 HEIIYTMLAS360 LMNKDGVLIS370 EGQGFMTREF380 LKSLRKPFGD390 FMEPKFEFAV 400 KFNALELDDS410 DLAIFIAVII420 LSGDRPGLLN430 VKPIEDIQDN440 LLQALELQLK 450 LNHPESSQLF460 AKLLQKMTDL470 RQIVTEHVQL480 LQVIKKTETD490 MSLHPLLQEI 500 YKDLY
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| PDB ID: 8DKN PPARg bound to T0070907 and Co-R peptide | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [1] |
| PDB Sequence |
PESADLRALA
243 KHLYDSYIKS253 FPLTKAKARA263 ILTGKTTDKS273 PFVIYDMNSL283 MMGEDKPLQE 300 QSKEVAIRIF310 QGCQFRSVEA320 VQEITEYAKS330 IPGFVNLDLN340 DQVTLLKYGV 350 HEIIYTMLAS360 LMNKDGVLIS370 EGQGFMTREF380 LKSLRKPFGD390 FMEPKFEFAV 400 KFNALELDDS410 DLAIFIAVII420 LSGDRPGLLN430 VKPIEDIQDN440 LLQALELQLK 450 LNHPESSQLF460 AKLLQKMTDL470 RQIVTEHVQL480 LQVIKKTETD490 MSLHPLLQEI 500 YKDLY
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR-gamma by inverse agonists. J Biol Chem. 2022 Nov;298(11):102539. | ||||
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