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TitleSynthesis, pharmacological and structural characterization, and thermodynamic aspects of GluA2-positive allosteric modulators with a 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide scaffold.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 8736-8745, Year 2013
Publish dateOct 1, 2013 (structure data deposition date)
AuthorsNrholm, A.B. / Francotte, P. / Olsen, L. / Krintel, C. / Frydenvang, K. / Goffin, E. / Challal, S. / Danober, L. / Botez-Pop, I. / Lestage, P. ...Nrholm, A.B. / Francotte, P. / Olsen, L. / Krintel, C. / Frydenvang, K. / Goffin, E. / Challal, S. / Danober, L. / Botez-Pop, I. / Lestage, P. / Pirotte, B. / Kastrup, J.S.
External linksJ. Med. Chem. / PubMed:24131202
MethodsX-ray diffraction
Resolution1.87 Å
Structure data

PDB-4n07:
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM-344 at 1.87 A resolution
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

Chemicals

ChemComp-2J9:
4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide

ChemComp-GLU:
GLUTAMIC ACID

ChemComp-ACT:
ACETATE ION

ChemComp-ZN:
Unknown entry

ChemComp-CAC:
CACODYLATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • rattus norvegicus (Norway rat)
KeywordsMEMBRANE PROTEIN / AMPA RECEPTOR LIGAND-BINDING DOMAIN / GLUA2 S1S2J-L483Y-N754S / BPAM-344 ALLOSTERIC MODULATION

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