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Title2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 4239-4256, Year 2021
Publish dateDec 2, 2020 (structure data deposition date)
AuthorsKang, D. / Ruiz, F.X. / Sun, Y. / Feng, D. / Jing, L. / Wang, Z. / Zhang, T. / Gao, S. / Sun, L. / De Clercq, E. ...Kang, D. / Ruiz, F.X. / Sun, Y. / Feng, D. / Jing, L. / Wang, Z. / Zhang, T. / Gao, S. / Sun, L. / De Clercq, E. / Pannecouque, C. / Arnold, E. / Zhan, P. / Liu, X.
External linksJ. Med. Chem. / PubMed:33734714
MethodsX-ray diffraction
Resolution2.02 Å
Structure data

PDB-7kwu:
Crystal Structure of HIV-1 RT in Complex with 16c (K07-15)
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-MG:
Unknown entry

ChemComp-K7F:
4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus type 1
KeywordsTRANSFERASE/INHIBITOR / Human immunodeficiency virus 1 / non nucleotide-reverse transcriptase inhibitor / TRANSFERASE / TRANSFERASE-INHIBITOR complex

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