KNI-272, a highly selective and potent peptidic HIV protease inhibitor

Citation
M. Doi et al., KNI-272, a highly selective and potent peptidic HIV protease inhibitor, ACT CRYST C, 57, 2001, pp. 1333-1335
Citations number
14
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
ISSN journal
0108-2701 → ACNP
Volume
57
Year of publication
2001
Part
11
Pages
1333 - 1335
Database
ISI
SICI code
0108-2701(200111)57:<1333:KAHSAP>2.0.ZU;2-X
Abstract
Kynostatin {KNI-272; systematic name: 3-[3-benzyl-2-hydroxy-9-(isoquinolin- 5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo-4,7-diazanonanoyl]-N-tert-butyl-1 ,3-thiazolane-4-carboxamide}, a highly selective and potent HIV protease in hibitor containing allophenylnorstatin [(2S,3S)-3-amino-2-hydroxy-4-phenylb utyric acid], has been crystallized as the hydrate, C33H41N5O6S2.0.803H(2)O , from aqueous hexylene glycol. The observed disorder of the phenyl group i n the structure is related to the mode of hydration. The backbone conformat ion of the molecule is twisted and the overall conformation of the free inh ibitor is similar to that observed in its complex with HIV protease.