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Structure paper

TitleHighly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 54, Page 7621-7638, Year 2011
Publish dateJun 28, 2011 (structure data deposition date)
AuthorsMalamas, M.S. / Ni, Y. / Erdei, J. / Stange, H. / Schindler, R. / Lankau, H.J. / Grunwald, C. / Fan, K.Y. / Parris, K. / Langen, B. ...Malamas, M.S. / Ni, Y. / Erdei, J. / Stange, H. / Schindler, R. / Lankau, H.J. / Grunwald, C. / Fan, K.Y. / Parris, K. / Langen, B. / Egerland, U. / Hage, T. / Marquis, K.L. / Grauer, S. / Brennan, J. / Navarra, R. / Graf, R. / Harrison, B.L. / Robichaud, A. / Kronbach, T. / Pangalos, M.N. / Hoefgen, N. / Brandon, N.J.
External linksJ. Med. Chem. / PubMed:21988093
MethodsX-ray diffraction
Resolution1.82 - 2.4 Å
Structure data

PDB-3sn7:
Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-3sni:
Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3snl:
Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-540:
8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-546:
2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine

ChemComp-548:
6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Hydrolase / Hydrolase inhibitor / Zn Binding / HYDROLASE-HYDROLASE INHIBITOR complex

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