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4NCG

Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses

Summary for 4NCG
Entry DOI10.2210/pdb4ncg/pdb
DescriptorReverse transcriptase/ribonuclease H, p51 RT, 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, ... (4 entities in total)
Functional Keywordshiv-1 reverse transcriptase, non-nucleoside inhibition, wild type rt transferase-inhibitor complex, hydrolase-inhibitor complex, transferase-inhhibitor, hydrolase-inhhibitor complex, transferase/inhhibitor, hydrolase/inhhibitor
Biological sourceHuman immunodeficiency virus 1
More
Cellular locationMatrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P04585 P04585
Total number of polymer chains2
Total formula weight117052.48
Authors
Yan, Y. (deposition date: 2013-10-24, release date: 2014-02-12, Last modification date: 2022-10-12)
Primary citationCote, 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.
Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses.
Bioorg.Med.Chem.Lett., 24:917-922, 2014
Cited by
PubMed: 24412110
DOI: 10.1016/j.bmcl.2013.12.070
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.58 Å)
Structure validation

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