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TitleDiscovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 2620-2637, Year 2020
Publish dateOct 9, 2019 (structure data deposition date)
AuthorsLi, G. / Meanwell, N.A. / Krystal, M.R. / Langley, D.R. / Naidu, B.N. / Sivaprakasam, P. / Lewis, H. / Kish, K. / Khan, J.A. / Ng, A. ...Li, G. / Meanwell, N.A. / Krystal, M.R. / Langley, D.R. / Naidu, B.N. / Sivaprakasam, P. / Lewis, H. / Kish, K. / Khan, J.A. / Ng, A. / Trainor, G.L. / Cianci, C. / Dicker, I.B. / Walker, M.A. / Lin, Z. / Protack, T. / Discotto, L. / Jenkins, S. / Gerritz, S.W. / Pendri, A.
External linksJ. Med. Chem. / PubMed:32081010
MethodsX-ray diffraction
Resolution2.33 Å
Structure data

PDB-6um8:
HIV Integrase in complex with Compound-14
Method: X-RAY DIFFRACTION / Resolution: 2.33 Å

Chemicals

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-QCG:
(2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsTRANSFERASE / Hydrolase / DNA Integration / AIDS / RNASEH / LEDGF / ENDONUCLEASE / HIV-1 integrase

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