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Structure paper

TitleNovel triazines as potent and selective phosphodiesterase 10A inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 5876-5884, Year 2012
Publish dateMay 24, 2012 (structure data deposition date)
AuthorsMalamas, M.S. / Stange, H. / Schindler, R. / Lankau, H.J. / Grunwald, C. / Langen, B. / Egerland, U. / Hage, T. / Ni, Y. / Erdei, J. ...Malamas, M.S. / Stange, H. / Schindler, R. / Lankau, H.J. / Grunwald, C. / Langen, B. / Egerland, U. / Hage, T. / Ni, Y. / Erdei, J. / Fan, K.Y. / Parris, K. / Marquis, K.L. / Grauer, S. / Brennan, J. / Navarra, R. / Graf, R. / Harrison, B.L. / Robichaud, A. / Kronbach, T. / Pangalos, M.N. / Brandon, N.J. / Hoefgen, N.
External linksBioorg. Med. Chem. Lett. / PubMed:22902656
MethodsX-ray diffraction
Resolution2.02 - 2.1 Å
Structure data

PDB-4fcb:
Potent and Selective Phosphodiesterase 10A Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-4fcd:
Potent and Selective Phosphodiesterase 10A Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-0T7:
3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline

ChemComp-HOH:
WATER

ChemComp-0T6:
1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine

Source
  • homo sapiens (human)
KeywordsHydrolase/Hydrolase inhibitor / Binding Sites / Cyclic AMP / Cyclic GMP / Ligands / Phosphodiesterase Inhibitors / Hydrolase-Hydrolase inhibitor complex / Humans / Hydrolysis / Phosphoric Diester Hydrolases / Recombinant Proteins / Structure-Activity Relationship

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