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Structure paper

TitleFragment-Based Discovery of Pyrimido[1,2-b]indazole PDE10A Inhibitors.
Journal, issue, pagesChem. Pharm. Bull., Vol. 66, Page 286-294, Year 2018
Publish dateJun 23, 2017 (structure data deposition date)
AuthorsChino, A. / Seo, R. / Amano, Y. / Namatame, I. / Hamaguchi, W. / Honbou, K. / Mihara, T. / Yamazaki, M. / Tomishima, M. / Masuda, N.
External linksChem. Pharm. Bull. / PubMed:29491261
MethodsX-ray diffraction
Resolution2.44 - 2.77 Å
Structure data

PDB-5xui:
Crystal structure of PDE10A in complex with 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)et hyl]pyrazolo[1,5-a]pyrimidin-7-ol
Method: X-RAY DIFFRACTION / Resolution: 2.77 Å

PDB-5xuj:
Crystal structure of PDE10A in complex with 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
Method: X-RAY DIFFRACTION / Resolution: 2.44 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-8G3:
2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-ol

ChemComp-HOH:
WATER

ChemComp-8G6:
7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / PDE10A inhibitor / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex

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