| SYSTEM |
HIV-1
PR
(BH10 isolate) with
inhibitor SB206343
|
| HIVdb File |
hiv6skb
|
| PDB File |
1hps
|
| Company or Laboratory |
SmithKline Beecham Pharmaceuticals
|
| Year |
1994
|
| INHIBITOR (Type) |
SB 206343 (hydroxyethylene
isostere)
|
| Composition of the Inhibitor
(Substrate) or Summary Formula |
2- [(1R, 3S, 4S) - 1
- benzyl - 4 - [N - (benzyloxy carbonyl) - L - valyl] amino - 3 - hydroxy
- 5 - phenyl pentyl] - 4(5) - (2 - methyl propionyl) imidazole
|
| Schematic Formula |
SB
206343
|
| Resolution |
2.3Ao
|
| R factor |
0.194
|
| Space Group |
P61
|
| Dimension of Elementary
Cell |
a=63.00,b=63.00,c=83.30
|
| a,b,g
(alpha,beta,gamma)
|
a=b=90.00,g=120.00
|
| Reference |
S.C.Thompson, K.H.M.Murthy,
B.Zhao, E.Winborne, D.W.Green, S.M.Fisher, R.L.Des Jarlais, T.A.Tomaszek,
T.D.Meek, J.G.Gleason, S.S.Abdel-Meguid;
J.Med.Chem., 37, 3100, 1994 |
| Comment |
The inhibitor SB206343 is
based on a model derived from the structure of the MVT101/HIV-1 PR complex |