4CPW

Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol

Summary for 4CPW

• Entry DOI: 10.2210/pdb4cpw/pdb
• Related: 4CPQ 4CPR 4CPS 4CPT 4CPU 4CPX
• Descriptor: PROTEASE, CHLORIDE ION, methyl N-[(2S)-1-[2-[[4-[(3S)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate, ... (4 entities in total)
• Functional Keywords: hydrolase, inhibitor, rational drug design
• Biological source: HUMAN IMMUNODEFICIENCY VIRUS
• Cellular location: Gag-Pol polyprotein: Host cell membrane; Lipid-anchor. Matrix protein p17: Virion membrane; Lipid- anchor . Capsid protein p24: Virion . Nucleocapsid protein p7: Virion . Reverse transcriptase/ribonuclease H: Virion . Integrase: Virion : P03366
• Total number of polymer chains: 2
• Total formula weight: 22391.64

Authors

DeRosa, M.,Unge, J.,Motwani, H.V.,Rosenquist, A.,Vrang, L.,Wallberg, H.,Larhed, M. (deposition date: 2014-02-08, release date: 2014-12-17, Last modification date: 2018-01-17)

• Primary citation: De Rosa, M.,Unge, J.,Motwani, H.V.,Rosenquist, A.,Vrang, L.,Wallberg, H.,Larhed, M.; Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.; J.Med.Chem., 57:6444-, 2014; PubMed: 25054811; DOI: 10.1021/JM500434Q

Experimental method

X-RAY DIFFRACTION (1.7 Å)