Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T36557 | Target Info | |||
| Target Name | Peroxisome proliferator-activated receptor delta (PPARD) | ||||
| Synonyms | Peroxisomeproliferator-activated receptor beta; Peroxisomeproliferator activated receptor beta/delta; Peroxisome proliferator-activated receptor beta; PPARdelta; PPARB; PPAR-delta; PPAR-beta; Nuclear receptor subfamily 1 group C member 2; Nuclear hormone receptor 1; NUCI; NUC1; NR1C2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PPARD | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | B-Octylglucoside | Ligand Info | |||
| Canonical SMILES | CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O | ||||
| InChI | 1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1 | ||||
| InChIKey | HEGSGKPQLMEBJL-RKQHYHRCSA-N | ||||
| PubChem Compound ID | 62852 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2XYX Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [1] |
| PDB Sequence |
KAFSKHIYNA
185 YLKNFNMTKK195 KARSILTGKA209 PFVIHDIETL219 WQAEKGLVWK229 QLVNGLPPYK 239 EISVHVFYRC249 QCTTVETVRE259 LTEFAKSIPS269 FSSLFLNDQV279 TLLKYGVHEA 289 IFAMLASIVN299 KDGLLVANGS309 GFVTREFLRS319 LRKPFSDIIE329 PKFEFAVKFN 339 ALELDDSDLA349 LFIAAIILCG359 DRPGLMNVPR369 VEAIQDTILR379 ALEFHLQANH 389 PDAQYLFPKL399 LQKMADLRQL409 VTEHAQMMQR419 IKKTETETSL429 HPLLQEIYKD 439 M
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| PDB ID: 2XYW Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy | ||||||
| Method | X-ray diffraction | Resolution | 3.14 Å | Mutation | No | [1] |
| PDB Sequence |
DLKAFSKHIY
183 NAYLKNFNMT193 KKKARSILTG203 KAPFVIHDIE217 TLWQAEKGLV227 WKQLVNGLPP 237 YKEISVHVFY247 RCQCTTVETV257 RELTEFAKSI267 PSFSSLFLND277 QVTLLKYGVH 287 EAIFAMLASI297 VNKDGLLVAN307 GSGFVTREFL317 RSLRKPFSDI327 IEPKFEFAVK 337 FNALELDDSD347 LALFIAAIIL357 CGDRPGLMNV367 PRVEAIQDTI377 LRALEFHLQA 387 NHPDAQYLFP397 KLLQKMADLR407 QLVTEHAQMM417 QRIKKTETET427 SLHPLLQEIY 437 KDM
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| PDB ID: 7WGN X-ray structure of human PPAR delta ligand binding domain-pemafibrate co-crystals obtained by co-crystallization | ||||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [2] |
| PDB Sequence |
ADLKAFSKHI
182 YNAYLKNFNM192 TKKKARSILT202 GKTAPFVIHD215 IETLWQAEKG225 LVWGLPPYKE 240 ISVHVFYRCQ250 CTTVETVREL260 TEFAKSIPSF270 SSLFLNDQVT280 LLKYGVHEAI 290 FAMLASIVNK300 DGLLVANGSG310 FVTREFLRSL320 RKPFSDIIEP330 KFEFAVKFNA 340 LELDDSDLAL350 FIAAIILCGD360 RPGLMNVPRV370 EAIQDTILRA380 LEFHLQANHP 390 DAQYLFPKLL400 QKMADLRQLV410 TEHAQMMQRI420 KKTETETSLH430 PLLQEIYKDM 440 Y
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| PDB ID: 7WGL X-ray structure of human PPAR delta ligand binding domain-bezafibrate co-crystals obtained by co-crystallization | ||||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [2] |
| PDB Sequence |
DLKAFSKHIY
183 NAYLKNFNMT193 KKKARSILTG203 KAPFVIHDIE217 TLWQAEKGLV227 WLPPYKEISV 243 HVFYRCQCTT253 VETVRELTEF263 AKSIPSFSSL273 FLNDQVTLLK283 YGVHEAIFAM 293 LASIVNKDGL303 LVANGSGFVT313 REFLRSLRKP323 FSDIIEPKFE333 FAVKFNALEL 343 DDSDLALFIA353 AIILCGDRPG363 LMNVPRVEAI373 QDTILRALEF383 HLQANHPDAQ 393 YLFPKLLQKM403 ADLRQLVTEH413 AQMMQRIKKT423 ETETSLHPLL433 QEIYKDM |
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Sulfonylthiadiazoles with an unusual binding mode as partial dual peroxisome proliferator-activated receptor (PPAR) Gamma/Delta agonists with high potency and in?vivo efficacy. ChemMedChem. 2011 Apr 4;6(4):633-53. | ||||
| REF 2 | Functional and Structural Insights into Human PPARAlpha/Delta/Gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate. Int J Mol Sci. 2022 Apr 25;23(9):4726. | ||||
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