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Structure paper

TitleValidation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 3707-3721, Year 2019
Publish dateOct 10, 2018 (structure data deposition date)
AuthorsHuang, Y.Y. / Yu, Y.F. / Zhang, C. / Chen, Y. / Zhou, Q. / Li, Z. / Zhou, S. / Guo, L. / Wu, D. / Wu, Y. / Luo, H.B.
External linksJ. Med. Chem. / PubMed:30888810
MethodsX-ray diffraction
Resolution2.6 - 2.7 Å
Structure data

PDB-6ijh:
Crystal structure of PDE10 in complex with inhibitor AF-399/14387019
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-6iji:
Crystal structure of PDE10 in complex with inhibitor 2b
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-AEO:
2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione

ChemComp-HOH:
WATER

ChemComp-AEL:
2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione

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

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