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TitleDesign, Optimization, and Biological Evaluation of Novel Keto-Benzimidazoles as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 8781-8792, Year 2013
Publish dateSep 23, 2013 (structure data deposition date)
AuthorsHu, E. / Kunz, R.K. / Chen, N. / Rumfelt, S. / Siegmund, A. / Andrews, K. / Chmait, S. / Zhao, S. / Davis, C. / Chen, H. ...Hu, E. / Kunz, R.K. / Chen, N. / Rumfelt, S. / Siegmund, A. / Andrews, K. / Chmait, S. / Zhao, S. / Davis, C. / Chen, H. / Lester-Zeiner, D. / Ma, J. / Biorn, C. / Shi, J. / Porter, A. / Treanor, J. / Allen, J.R.
External linksJ. Med. Chem. / PubMed:24102193
MethodsX-ray diffraction
Resolution2.496 - 2.639 Å
Structure data

PDB-4muw:
Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.639 Å

PDB-4mvh:
Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.496 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-2F4:
2-{4-[(6,7-difluoro-1H-benzimidazol-2-yl)amino]phenoxy}-N-methyl-3,4'-bipyridin-2'-amine

ChemComp-HOH:
WATER

ChemComp-2F5:
1H-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / PDE10A / phosphodiesterase 10A / inhibitors / Keto-Benzimidazoles / HYDROLASE-HYDROLASE INHIBITOR complex

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