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TitleThe Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 2468-, Year 2011
Publish dateDec 19, 2010 (structure data deposition date)
AuthorsCheshire, D.R. / Berg, A. / Andersson, G.M. / Andrews, G. / Beaton, H.G. / Birkinshaw, T.N. / Boughton-Smith, N. / Connolly, S. / Cook, T.R. / Cooper, A. ...Cheshire, D.R. / Berg, A. / Andersson, G.M. / Andrews, G. / Beaton, H.G. / Birkinshaw, T.N. / Boughton-Smith, N. / Connolly, S. / Cook, T.R. / Cooper, A. / Cooper, S.L. / Cox, D. / Dixon, J. / Gensmantel, N. / Hamley, P.J. / Harrison, R. / Hartopp, P. / Kack, H. / Leeson, P.D. / Luker, T. / Mete, A. / Millichip, I. / Nicholls, D.J. / Pimm, A.D. / St-Gallay, S.A. / Wallace, A.V.
External linksBioorg. Med. Chem. Lett. / PubMed:21398123
MethodsX-ray diffraction
Resolution2.6 - 3 Å
Structure data

PDB-2y37:
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-4ux6:
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-A54:
2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-H4B:
5,6,7,8-TETRAHYDROBIOPTERIN / neurotransmitter*YM

ChemComp-HOH:
WATER

ChemComp-YWO:
O-(5-methyl-2-nitrophenyl)-D-tyrosinamide

Source
  • mus musculus (house mouse)
KeywordsOXIDOREDUCTASE / DRUG DESIGN

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