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TitleAbsolute Binding Free Energy Calculation and Design of a Subnanomolar Inhibitor of Phosphodiesterase-10.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 2099-2111, Year 2019
Publish dateApr 9, 2018 (structure data deposition date)
AuthorsLi, Z. / Huang, Y. / Wu, Y. / Chen, J. / Wu, D. / Zhan, C.G. / Luo, H.B.
External linksJ. Med. Chem. / PubMed:30689375
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-5znl:
Crystal structure of PDE10A catalytic domain complexed with LHB-6
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-9G6:
N-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / PDE10A inhibitor

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