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Structure paper

TitleDiscovery of [(11)C]MK-8193 as a PET tracer to measure target engagement of phosphodiesterase 10A (PDE10A) inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 4893-4898, Year 2015
Publish dateMay 6, 2015 (structure data deposition date)
AuthorsCox, C.D. / Hostetler, E.D. / Flores, B.A. / Evelhoch, J.L. / Fan, H. / Gantert, L. / Holahan, M. / Eng, W. / Joshi, A. / McGaughey, G. ...Cox, C.D. / Hostetler, E.D. / Flores, B.A. / Evelhoch, J.L. / Fan, H. / Gantert, L. / Holahan, M. / Eng, W. / Joshi, A. / McGaughey, G. / Meng, X. / Purcell, M. / Raheem, I.T. / Riffel, K. / Yan, Y. / Renger, J.J. / Smith, S.M. / Coleman, P.J.
External linksBioorg. Med. Chem. Lett. / PubMed:26077491
MethodsX-ray diffraction
Resolution2.5 Å
Structure data

PDB-4zo5:
PDE10 complexed with 4-isopropoxy-2-(2-(3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)isoindoline-1,3-dione
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-4PX:
3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione

ChemComp-4Q0:
2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
Keywordshydrolase/hydrolase inhibitor / Phosphodiesterase inhibitor / hydrolase-hydrolase inhibitor complex

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