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 | Diclofenac | Ligand Info | |||
| Canonical SMILES | C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl | ||||
| InChI | 1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) | ||||
| InChIKey | DCOPUUMXTXDBNB-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 3033 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4OJ4 Crystal structure of V290M PPARgamma mutant in complex with diclofenac | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [1] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTKSPFV248 IYDMNSLMMG258 EDKIEQSKEV 277 AIRIFQGCQF287 RSMEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKDLY 477
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| PDB ID: 4XTA MECHANISMS OF PPARgamma ACTIVATION BY NON-STEROIDAL ANTI-INFLAMMATORY DRUGS | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [2] |
| PDB Sequence |
SADLRALAKH
217 LYDSYIKSFP227 LTKAKARAIL237 TGKTTDKSPF247 VIYDMNSLMM257 GEDKEVAIRI 281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL311 NDQVTLLKYG321 VHEIIYTMLA 331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG361 MEPKFEFAVK373 FNALELDDSD 383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL423 NHPESSQLFA 433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDL465 HPLLQEIY
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of a PPAR ligand-resistance syndrome mutant | ||||
| REF 2 | Mechanisms of peroxisome proliferator activated receptor Gamma regulation by non-steroidal anti-inflammatory drugs. Nucl Recept Signal. 2015 Oct 5;13:e004. | ||||
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