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TitleSynthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors.
Journal, issue, pagesBioorg. Med. Chem., Vol. 27, Page 3692-3706, Year 2019
Publish dateJul 3, 2019 (structure data deposition date)
AuthorsChino, A. / Honda, S. / Morita, M. / Yonezawa, K. / Hamaguchi, W. / Amano, Y. / Moriguchi, H. / Yamazaki, M. / Aota, M. / Tomishima, M. / Masuda, N.
External linksBioorg. Med. Chem. / PubMed:31301949
MethodsX-ray diffraction
Resolution2.44 - 3.1 Å
Structure data

PDB-6kdx:
Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.44 Å

PDB-6kdz:
Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

PDB-6ke0:
Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.95 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-D6X:
N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine

ChemComp-HOH:
WATER

ChemComp-D79:
4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol

ChemComp-D7C:
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Inhibitor

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