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TitleNovel (2,6-difluorophenyl)(2-(phenylamino)pyrimidin-4-yl)methanones with restricted conformation as potent non-nucleoside reverse transcriptase inhibitors against HIV-1.
Journal, issue, pagesEur. J. Med. Chem., Vol. 122, Page 185-195, Year 2016
Publish dateMay 17, 2016 (structure data deposition date)
AuthorsSimon, P. / Baszczynski, O. / Saman, D. / Stepan, G. / Hu, E. / Lansdon, E.B. / Jansa, P. / Janeba, Z.
External linksEur. J. Med. Chem. / PubMed:27371922
MethodsX-ray diffraction
Resolution2.402 Å
Structure data

PDB-5k14:
HIV-1 Reverse Transcriptase in complex with a 2,6-difluorophenyl DAPY analog
Method: X-RAY DIFFRACTION / Resolution: 2.402 Å

Chemicals

ChemComp-IB1:
4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus type 1 group m subtype b (isolate hxb2)
  • human immunodeficiency virus type 1 group m subtype b (isolate lw123)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / HIV-1 / reverse transcriptase / NNRTI / inhibitor complex / TRANSFERASE-TRANSFERASE INHIBITOR complex

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