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Structure paper

TitleDesign and synthesis of a novel 2-oxindole scaffold as a highly potent and brain-penetrant phosphodiesterase 10A inhibitor
Journal, issue, pagesBioorg. Med. Chem., Vol. 23, Page 7138-7149, Year 2015
Publish dateJul 31, 2015 (structure data deposition date)
AuthorsYoshikawa, M. / Kamisaki, H. / Kunitomo, J. / Oki, H. / Kokubo, H. / Suzuki, A. / Ikemoto, T. / Nakashima, K. / Kamiguchi, N. / Harada, A. ...Yoshikawa, M. / Kamisaki, H. / Kunitomo, J. / Oki, H. / Kokubo, H. / Suzuki, A. / Ikemoto, T. / Nakashima, K. / Kamiguchi, N. / Harada, A. / Kimura, H. / Taniguchi, T.
External linksBioorg. Med. Chem. / PubMed:26494583
MethodsX-ray diffraction
Resolution1.77 - 1.95 Å
Structure data

PDB-5axp:
Crystal structure of the catalytic domain of PDE10A complexed with 1-(2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-5axq:
Crystal structure of the catalytic domain of PDE10A complexed with highly potent and brain-penetrant PDE10A Inhibitor with 2-oxindole scaffold
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-ZN:
Unknown entry

ChemComp-4LK:
3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one

ChemComp-HOH:
WATER

ChemComp-4LP:
1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one

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

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