6B4N

a hydroxymethyl functionality at the 4-position of the 2-phenyloxazole moiety of HIV-1 protease inhibitors involving the P2' ligands

Summary for 6B4N

• Entry DOI: 10.2210/pdb6b4n/pdb
• Related: 2IEN
• Descriptor: Protease, methyl 2-{4-[{(2R,3S)-3-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate, SODIUM ION, ... (5 entities in total)
• Functional Keywords: hiv protease, the 2-phenyloxazole moiety inhibitor, p2' ligands, drug resistance, hydrolase, antiviral protein, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22326.88

Authors

Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (deposition date: 2017-09-27, release date: 2017-11-22, Last modification date: 2023-10-04)

• Primary citation: Ghosh, A.K.,Fyvie, W.S.,Brindisi, M.,Steffey, M.,Agniswamy, J.,Wang, Y.F.,Aoki, M.,Amano, M.,Weber, I.T.,Mitsuya, H.; Design, Synthesis, Biological Evaluation, and X-ray Studies of HIV-1 Protease Inhibitors with Modified P2' Ligands of Darunavir.; ChemMedChem, 12:1942-1952, 2017; PubMed: 29110408; DOI: 10.1002/cmdc.201700614

Experimental method

X-RAY DIFFRACTION (1.3 Å)