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TitleOptimization of Triazine Nitriles as Rhodesain Inhibitors: Structure-Activity Relationships, Bioisosteric Imidazopyridine Nitriles, and X-Ray Crystal Structure Analysis with Human Cathepsin L
Journal, issue, pagesChemmedchem, Vol. 8, Page 967-, Year 2013
Publish dateJun 13, 2012 (structure data deposition date)
AuthorsEhmke, V. / Winkler, E. / Banner, D.W. / Haap, W. / Schweizer, W.B. / Rottmann, M. / Kaiser, M. / Freymond, C. / Schirmeister, T. / Diederich, F.
External linksChemmedchem / PubMed:23658062
MethodsX-ray diffraction
Resolution1.92 - 2.8 Å
Structure data

PDB-4axl:
HUMAN CATHEPSIN L APO FORM WITH ZN
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-4axm:
TRIAZINE CATHEPSIN INHIBITOR COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-V65:
4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE

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