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Structure paper

TitleSynthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 5112-5117, Year 2006
Publish dateJun 27, 2006 (structure data deposition date)
AuthorsTully, D.C. / Liu, H. / Chatterjee, A.K. / Alper, P.B. / Epple, R. / Williams, J.A. / Roberts, M.J. / Woodmansee, D.H. / Masick, B.T. / Tumanut, C. ...Tully, D.C. / Liu, H. / Chatterjee, A.K. / Alper, P.B. / Epple, R. / Williams, J.A. / Roberts, M.J. / Woodmansee, D.H. / Masick, B.T. / Tumanut, C. / Li, J. / Spraggon, G. / Hornsby, M. / Chang, J. / Tuntland, T. / Hollenbeck, T. / Gordon, P. / Harris, J.L. / Karanewsky, D.S.
External linksBioorg. Med. Chem. Lett. / PubMed:16876402
MethodsX-ray diffraction
Resolution1.55 - 1.8 Å
Structure data

PDB-2hh5:
Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-2hhn:
Cathepsin S in complex with non covalent arylaminoethyl amide.
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-GNQ:
N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Cathepsin S / noncovalent / inhibition / zinc / arylaminoethyl-amides / arylaminoethyl amide / protease

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