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TitleNovel Indazole Non-Nucleoside Reverse Transcriptase Inhibitors Using Molecular Hybridization Based on Crystallographic Overlays.
Journal, issue, pagesJ. Med. Chem., Vol. 52, Page 1219-, Year 2009
Publish dateSep 8, 2008 (structure data deposition date)
AuthorsJones, L.H. / Allan, G. / Barba, O. / Burt, C. / Corbau, R. / Dupont, T. / Knochel, T. / Irving, S. / Middleton, D.S. / Mowbray, C.E. ...Jones, L.H. / Allan, G. / Barba, O. / Burt, C. / Corbau, R. / Dupont, T. / Knochel, T. / Irving, S. / Middleton, D.S. / Mowbray, C.E. / Perros, M. / Ringrose, H. / Swain, N.A. / Webster, R. / Westby, M. / Phillips, C.
External linksJ. Med. Chem. / PubMed:19175319
MethodsX-ray diffraction
Resolution2.9 Å
Structure data

PDB-2jle:
Novel indazole nnrtis created using molecular template hybridization based on crystallographic overlays
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

Chemicals

ChemComp-I15:
5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsTRANSFERASE / DNA-DIRECTED DNA POLYMERASE / ENDONUCLEASE / METAL-BINDING / PHOSPHOPROTEIN / NUCLEASE / MYRISTATE / HYDROLASE / CYTOPLASM / MAGNESIUM / RNA-DIRECTED DNA POLYMERASE / CAPSID PROTEIN / DNA INTEGRATION / ASPARTYL PROTEASE / MULTIFUNCTIONAL ENZYME / RIBOSOMAL FRAMESHIFTING / CAPSID MATURATION / DNA RECOMBINATION / VIRAL NUCLEOPROTEIN / NUCLEOTIDYLTRANSFERASE / ZINC-FINGER / RNA-BINDING / LIPOPROTEIN / ZINC / AIDS / NNRTI / HIV-1 / VIRION / NUCLEUS / PROTEASE

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