1YT9

HIV Protease with oximinoarylsulfonamide bound

Summary for 1YT9

• Entry DOI: 10.2210/pdb1yt9/pdb
• Related: 1MUI
• Descriptor: Pol polyprotein, (S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(HYDROXYIMINO)METHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YL)-3-METHYL-2-(3 -((2-METHYLTHIAZOL-4-YL)METHYL)-2-OXOIMIDAZOLIDIN-1-YL)BUTANAMIDE (2 entities in total)
• Functional Keywords: hiv protease, oximinoarylsulfonamides, hydrolase
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22306.41

Authors

Yeung, C.M.,Klein, L.L.,Flentge, C.A.,Randolph, J.T.,Zhao, C.,Sun, M.,Dekhtyar, T.,Stoll, V.S.,Kempf, D.J. (deposition date: 2005-02-10, release date: 2005-04-12, Last modification date: 2024-02-14)

Primary citation

Yeung, C.M.,Klein, L.L.,Flentge, C.A.,Randolph, J.T.,Zhao, C.,Sun, M.,Dekhtyar, T.,Stoll, V.S.,Kempf, D.J.
Oximinoarylsulfonamides as potent HIV protease inhibitors.
Bioorg.Med.Chem.Lett., 15:2275-2278, 2005

PubMed Abstract: The need for a potent HIV protease inhibitor (PI) to combat emerging PI-resistant viruses is anticipated. Analogs formulated from the combination of structural fragments of Ritonavir, Lopinavir, and Amprenavir were synthesized. Analogs containing the oxime pharmacophore were found to have improved activities against both wild type and resistant (A17) viruses. The synthesis and structure-activity relationships (SAR) based upon the in vitro IC50 of this series of compounds are reported.

PubMed: 15837308
DOI: 10.1016/j.bmcl.2005.03.008

Experimental method

X-RAY DIFFRACTION (3 Å)