4CPX
Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol
Summary for 4CPX
Entry DOI | 10.2210/pdb4cpx/pdb |
Related | 4CPQ 4CPR 4CPS 4CPT 4CPU 4CPW |
Descriptor | PROTEASE, CHLORIDE ION, methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[3-[(3~{R},6~{S},10~{Z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-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 | 22389.62 |
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: 2024-05-01) |
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., 57:6444-6457, 2014 Cited by PubMed: 25054811DOI: 10.1021/jm500434q PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.85 Å) |
Structure validation
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