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TitleThioether acetamides as P3 binding elements for tetrahydropyrido-pyrazole cathepsin S inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 2379-2382, Year 2010
Publish dateAug 4, 2017 (structure data deposition date)
AuthorsWiener, D.K. / Lee-Dutra, A. / Bembenek, S. / Nguyen, S. / Thurmond, R.L. / Sun, S. / Karlsson, L. / Grice, C.A. / Jones, T.K. / Edwards, J.P.
External linksBioorg. Med. Chem. Lett. / PubMed:20188543
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-5qc4:
Crystal structure of human Cathepsin-S with bound ligand
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-BC7:
2-[5-[5-ethanoyl-1-[(2~{R})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / D3R / Cathepsin S / Ligand Docking

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