4CPR

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

Summary for 4CPR

• Entry DOI: 10.2210/pdb4cpr/pdb
• Related: 4CPQ 4CPS 4CPT 4CPU 4CPW 4CPX
• Descriptor: PROTEASE, CHLORIDE ION, methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[(4~{R})-5-[[(2~{S})-3-methyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-[(4-prop-2-enylphenyl)methyl]pentyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate, ... (4 entities in total)
• Functional Keywords: hydrolase, inhibitor, rational drug design
• Biological source: HUMAN IMMUNODEFICIENCY VIRUS
• Total number of polymer chains: 2
• Total formula weight: 22417.67

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: 2019-05-22)

• 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 (1.8 Å)