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TitleDesign of Selective sPLA2-X Inhibitor (-)-2-{2-[Carbamoyl-6-(trifluoromethoxy)-1H-indol-1-yl]pyridine-2-yl}propanoic Acid.
Journal, issue, pagesACS Med Chem Lett, Vol. 9, Page 600-605, Year 2018
Publish dateMar 29, 2018 (structure data deposition date)
AuthorsGiordanetto, F. / Knerr, L. / Nordberg, P. / Pettersen, D. / Selmi, N. / Beisel, H.G. / de la Motte, H. / Mansson, A. / Dahlstrom, M. / Broddefalk, J. ...Giordanetto, F. / Knerr, L. / Nordberg, P. / Pettersen, D. / Selmi, N. / Beisel, H.G. / de la Motte, H. / Mansson, A. / Dahlstrom, M. / Broddefalk, J. / Saarinen, G. / Klingegard, F. / Hurt-Camejo, E. / Rosengren, B. / Wikstrom, J. / Wagberg, M. / Brengdahl, J. / Rohman, M. / Sandmark, J. / Akerud, T. / Roth, R.G. / Jansen, F. / Ahlqvist, M.
External linksACS Med Chem Lett / PubMed:30034586
MethodsX-ray diffraction
Resolution1.85 Å
Structure data

PDB-6g5j:
Secreted phospholipase A2 type X in complex with ligand
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-EM8:
(3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / SECRETORY PHOSPHOLIPASE A2 TYPE X sPLA2X sPLA2-X phospholipase enzyme inhibitor complex

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