8FIU

Potent long-acting inhibitors targeting HIV-1 capsid based on a versatile quinazolin-4-one scaffold

Summary for 8FIU

• Entry DOI: 10.2210/pdb8fiu/pdb
• Descriptor: HIV-1 capsid, 1,2-ETHANEDIOL, N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide, ... (4 entities in total)
• Functional Keywords: hiv-1, capsid, ligand complex, antiviral protein, antiviral-protein-inhibitor complex, antiviral-protein/inhibitor
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 3
• Total formula weight: 79966.80

Authors

Nolte, R.T. (deposition date: 2022-12-16, release date: 2023-02-15)

• Primary citation: Gillis, E.P.,Parcella, K.,Bowsher, M.,Cook, J.H.,Iwuagwu, C.,Naidu, B.N.,Patel, M.,Peese, K.,Huang, H.,Valera, L.,Wang, C.,Kieltyka, K.,Parker, D.D.,Simmermacher, J.,Arnoult, E.,Nolte, R.T.,Wang, L.,Bender, J.A.,Frennesson, D.B.,Saulnier, M.,Wang, A.X.,Meanwell, N.A.,Belema, M.,Hanumegowda, U.,Jenkins, S.,Krystal, M.,Kadow, J.F.,Cockett, M.,Fridell, R.; Potent Long-Acting Inhibitors Targeting the HIV-1 Capsid Based on a Versatile Quinazolin-4-one Scaffold.; J.Med.Chem., 66:1941-1954, 2023; PubMed: 36719971; DOI: 10.1021/acs.jmedchem.2c01732

Experimental method

X-RAY DIFFRACTION (1.56 Å)