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TitleSynthesis and Structure-Activity Relationship of 4-(1,3-Benzothiazol-2-Yl)-Thiophene-2-Sulfonamides as Cyclin-Dependent Kinase 5 (Cdk5)/P25 Inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 5919-, Year 2012
Publish dateMay 14, 2012 (structure data deposition date)
AuthorsMalmstrom, J. / Viklund, J. / Slivo, C. / Costa, A. / Maudet, M. / Sandelin, C. / Hiller, G. / Olsson, L.L. / Aagaard, A. / Geschwindner, S. ...Malmstrom, J. / Viklund, J. / Slivo, C. / Costa, A. / Maudet, M. / Sandelin, C. / Hiller, G. / Olsson, L.L. / Aagaard, A. / Geschwindner, S. / Xue, Y. / Vasange, M.
External linksBioorg. Med. Chem. Lett. / PubMed:22889803
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-4au8:
Crystal structure of compound 4a in complex with cdk5, showing an unusual binding mode to the hinge region via a water molecule
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-Z3R:
4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide

ChemComp-IMD:
IMIDAZOLE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / CDK2 / ALZHEIMER DISEASE

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