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Title5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives as Potent HIV-1-Integrase-Allosteric-Site Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 1348-1361, Year 2019
Publish dateDec 11, 2018 (structure data deposition date)
AuthorsPeese, K.M. / Allard, C.W. / Connolly, T. / Johnson, B.L. / Li, C. / Patel, M. / Sorensen, M.E. / Walker, M.A. / Meanwell, N.A. / McAuliffe, B. ...Peese, K.M. / Allard, C.W. / Connolly, T. / Johnson, B.L. / Li, C. / Patel, M. / Sorensen, M.E. / Walker, M.A. / Meanwell, N.A. / McAuliffe, B. / Minassian, B. / Krystal, M. / Parker, D.D. / Lewis, H.A. / Kish, K. / Zhang, P. / Nolte, R.T. / Simmermacher, J. / Jenkins, S. / Cianci, C. / Naidu, B.N.
External linksJ. Med. Chem. / PubMed:30609350
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-6ncj:
Structure of HIV-1 Integrase with potent 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives Allosteric Site Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-KJJ:
(2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsVIRAL PROTEIN / Integrase / Catalytic / Inhibitor

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