(A) Cartoon representation of HIV-1p in the semiopen conformation
(PDB: 1HHP).
(B) Pharmacophore model of the HIV-1p allosteric site, the Eye site,
constructed by Damm et al.1 When the 5NI–protease
crystal structure is superimposed on the pharmacophore model, the
agreement is obvious. The pharmacophores are color-coded according
to chemical property: hydrophobic (cyan), aromatic (green), hydrogen-bond
donor (red), and hydrogen-bond acceptor (blue). (C) Structure of compound 1 with inhibitory activity against HIV-1p.