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PDBsum entry 5xmx
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Transcription/inhibitor
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PDB id
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5xmx
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PDB id:
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| Name: |
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Transcription/inhibitor
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Title:
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Co-crystal structure of inhibitor compound in complex with human ppardelta lbd
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Structure:
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Peroxisome proliferator-activated receptor delta. Chain: a, b. Fragment: unp residues 171-441. Synonym: ppar-delta,nuci,nuclear hormone receptor 1,nuc1,nuclear receptor subfamily 1 group c member 2,peroxisome proliferator- activated receptor beta,ppar-beta. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: ppard, nr1c2, pparb. Expressed in: escherichia coli. Expression_system_taxid: 562.
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Resolution:
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2.00Å
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R-factor:
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0.216
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R-free:
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0.282
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Authors:
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A.Lakshminarasimhan,S.T.Rani,R.S.Senaiar,N.Krishnamurthy
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Key ref:
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B.Lagu
et al.
(2017).
Novel highly selective peroxisome proliferator-activated receptor δ (PPARδ) modulators with pharmacokinetic properties suitable for once-daily oral dosing.
Bioorg Med Chem Lett,
27,
5230-5234.
PubMed id:
DOI:
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Date:
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16-May-17
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Release date:
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23-May-18
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PROCHECK
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Headers
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References
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Q03181
(PPARD_HUMAN) -
Peroxisome proliferator-activated receptor delta from Homo sapiens
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Seq:
Struc:
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441 a.a.
257 a.a.
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Key: |
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PfamA domain |
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Secondary structure |
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DOI no:
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Bioorg Med Chem Lett
27:5230-5234
(2017)
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PubMed id:
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Novel highly selective peroxisome proliferator-activated receptor δ (PPARδ) modulators with pharmacokinetic properties suitable for once-daily oral dosing.
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B.Lagu,
A.F.Kluge,
R.A.Fredenburg,
E.Tozzo,
R.S.Senaiar,
M.Jaleel,
S.K.Panigrahi,
N.K.Tiwari,
N.R.Krishnamurthy,
T.Takahashi,
M.A.Patane.
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ABSTRACT
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Optimization of benzamide PPARδ modulator 1 led to
(E)-6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl)phenoxy)-4-methylhex-4-enoic
acid (18), a potent selective PPARδ modulator with significantly improved
exposure in multiple species following oral administration.
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Links
