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Title | Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses. |
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Journal, issue, pages | J. Med. Chem., Vol. 51, Page 6503-6511, Year 2008 |
Publish date | Jul 11, 2008 (structure data deposition date) |
Authors | Tucker, T.J. / Sisko, J.T. / Tynebor, R.M. / Williams, T.M. / Felock, P.J. / Flynn, J.A. / Lai, M.T. / Liang, Y. / McGaughey, G. / Liu, M. ...Tucker, T.J. / Sisko, J.T. / Tynebor, R.M. / Williams, T.M. / Felock, P.J. / Flynn, J.A. / Lai, M.T. / Liang, Y. / McGaughey, G. / Liu, M. / Miller, M. / Moyer, G. / Munshi, V. / Perlow-Poehnelt, R. / Prasad, S. / Reid, J.C. / Sanchez, R. / Torrent, M. / Vacca, J.P. / Wan, B.L. / Yan, Y. |
External links | J. Med. Chem. / PubMed:18826204 |
Methods | X-ray diffraction |
Resolution | 2.6 - 3.15 Å |
Structure data | PDB-3drp: PDB-3drr: PDB-3drs: |
Chemicals | ChemComp-R8E: ChemComp-HOH: ChemComp-R8D: |
Source |
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Keywords | TRANSFERASE / HIV-1 reverse transcriptase / non-nucleoside inhibition / nucleotidyltrasferase / Hydrolase |