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Structure paper

TitleEvolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 1864-1868, Year 2015
Publish dateMar 13, 2015 (structure data deposition date)
AuthorsBurdi, D.F. / Campbell, J.E. / Wang, J. / Zhao, S. / Zhong, H. / Wei, J. / Campbell, U. / Shao, L. / Herman, L. / Koch, P. ...Burdi, D.F. / Campbell, J.E. / Wang, J. / Zhao, S. / Zhong, H. / Wei, J. / Campbell, U. / Shao, L. / Herman, L. / Koch, P. / Jones, P.G. / Hewitt, M.C.
External linksBioorg. Med. Chem. Lett. / PubMed:25863433
MethodsX-ray diffraction
Resolution2.308 - 2.502 Å
Structure data

PDB-4yqh:
2-[2-(4-Phenyl-1H-imidazol-2-yl)ethyl]quinoxaline (Sunovion Compound 14) co-crystallized with PDE10A
Method: X-RAY DIFFRACTION / Resolution: 2.308 Å

PDB-4ys7:
Co-crystal structure of 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline (compound 39) with PDE10A
Method: X-RAY DIFFRACTION / Resolution: 2.502 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-4F7:
2-[2-(4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline

ChemComp-HOH:
WATER

ChemComp-4GK:
2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline

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

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