| SYSTEM |
HIV-1
PR
(BH10 isolate) with
inhibitor SB203386
|
| HIVdb File |
hiv7skb
|
| PDB File |
1sbg
|
| Company or Laboratory |
SmithKline Beecham Pharmaceuticals
|
| Year |
1994
|
| INHIBITOR (Type) |
SB 203386 (hydroxyethylene
isostere)
|
| Composition of the Inhibitor
(Substrate) or Summary Formula |
(2R, 4S, 5S, 1'S)- 2
- phenyl methyl - 4 - hydroxy - 5 - (tert - butoxy carbonyl) amino - 6
- phenyl hexanoyl - N - (1'-imidazo - 2 - YL)- 2'- methyl propan amide
|
| Schematic Formula |
SB
203386
|
| Resolution |
2.3Ao
|
| R factor |
0.188
|
| Space Group |
P61
|
| Dimension of Elementary
Cell |
a=63.40,b=63.40,c=83.70
|
| a,b,g
(alpha,beta,gamma)
|
a=b=90.00,g=120.00
|
| Reference |
S.S.Abdel-Meguid, B.W. Metcalf,
T.J.Carr, P. Demarsh, S. Fisher, K.H.M.Murthy, B.Zhao, E.Winborne, D.W.Green,
R.L.Des Jarlais, T.A.Tomaszek, T.D.Meek et al; Biochemistry,
33, 11671, 1994 |
| Comment |
It is presently unclear
exactly which properties of the imidazole ring result in the enhancement
of the pharmacokinetic properties. The benefits ot this amide surrogate
are probably manifold |