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TitleDiscovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 24, Page 917-922, Year 2014
Publish dateOct 24, 2013 (structure data deposition date)
AuthorsCote, B. / Burch, J.D. / Asante-Appiah, E. / Bayly, C. / Bedard, L. / Blouin, M. / Campeau, L.C. / Cauchon, E. / Chan, M. / Chefson, A. ...Cote, B. / Burch, J.D. / Asante-Appiah, E. / Bayly, C. / Bedard, L. / Blouin, M. / Campeau, L.C. / Cauchon, E. / Chan, M. / Chefson, A. / Coulombe, N. / Cromlish, W. / Debnath, S. / Deschenes, D. / Dupont-Gaudet, K. / Falgueyret, J.P. / Forget, R. / Gagne, S. / Gauvreau, D. / Girardin, M. / Guiral, S. / Langlois, E. / Li, C.S. / Nguyen, N. / Papp, R. / Plamondon, S. / Roy, A. / Roy, S. / Seliniotakis, R. / St-Onge, M. / Ouellet, S. / Tawa, P. / Truchon, J.F. / Vacca, J. / Wrona, M. / Yan, Y. / Ducharme, Y.
External linksBioorg. Med. Chem. Lett. / PubMed:24412110
MethodsX-ray diffraction
Resolution2.58 Å
Structure data

PDB-4ncg:
Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses
Method: X-RAY DIFFRACTION / Resolution: 2.58 Å

Chemicals

ChemComp-2KW:
3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile / medication, inhibitor*YM

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsTransferase/Inhhibitor / Hydrolase/Inhhibitor / HIV-1 reverse transcriptase / non-nucleoside inhibition / Wild type RT Transferase-inhibitor complex / Hydrolase-inhibitor complex / Transferase-Inhhibitor / Hydrolase-Inhhibitor complex

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