2A4F

Synthesis and Activity of N-Axyl Azacyclic Urea HIV-1 Protease Inhibitors with High Potency Against Multiple Drug Resistant Viral Strains.

Summary for 2A4F

• Entry DOI: 10.2210/pdb2a4f/pdb
• Related: 1YT9
• Descriptor: Pol polyprotein, (5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4-HYDROXY-3-METHOXYBENZYL)-1-[3-(4-HYDROXYPHENYL)PROPANOYL]-1,2,4-TRIAZEPAN-3-ONE (3 entities in total)
• Functional Keywords: hiv protease, aza-cyclic urea, hydrolase
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22249.22

Authors

Zhao, C.,Sham, H.,Sun, M.,Lin, S.,Stoll, V.,Stewart, K.D.,Mo, H.,Vasavanonda, S.,Saldivar, A.,McDonald, E. (deposition date: 2005-06-28, release date: 2005-09-20, Last modification date: 2024-02-14)

Primary citation

Zhao, C.,Sham, H.L.,Sun, M.,Stoll, V.S.,Stewart, K.D.,Lin, S.,Mo, H.,Vasavanonda, S.,Saldivar, A.,Park, C.,McDonald, E.J.,Marsh, K.C.,Klein, L.L.,Kempf, D.J.,Norbeck, D.W.
Synthesis and activity of N-acyl azacyclic urea HIV-1 protease inhibitors with high potency against multiple drug resistant viral strains
Bioorg.Med.Chem.Lett., 15:5499-5503, 2005

PubMed Abstract: As part of our efforts to identify potent HIV-1 protease inhibitors that are active against resistant viral strains, structural modification of the azacyclic urea (I) was undertaken by incorporating acyl groups as P(1)' ligands. The extensive SAR study has yielded a series of N-acyl azacyclic ureas (II), which are highly potent against both wild-type and multiple PI-resistant viral strains.

PubMed: 16203141
DOI: 10.1016/j.bmcl.2005.08.093

Experimental method

X-RAY DIFFRACTION (1.9 Å)