| SYSTEM |
HIV-1
PR
(BH10 isolate) with
inhibitor SB203238
|
| HIVdb File |
hiv8skb
|
| PDB File |
1hbv
|
| Company or Laboratory |
SmithKline Beecham Pharmaceuticals
|
| Year |
1995
|
| INHIBITOR (Type) |
SB203238 (reduced amide
isostere)
|
| Composition of the Inhibitor
(Substrate) or Summary Formula |
2- [3- benzyl -5- (1-
alanyl - aminoethyl -2, 3, 6, 7- tetrahydro -1H- azepin -1- Yl] - oxopropyl
- valinyl - valine - methylester
|
| Schematic Formula |
SB203238
|
| Resolution |
2.3Ao
|
| R factor |
0.177
|
| Space Group |
P61
|
| Dimension of Elementary
Cell |
a=63.40,b=63.40,c=83.90
|
| a,b,g
(alpha,beta,gamma)
|
a=b=90.00,g=120.00
|
| Reference |
S.S.Hoog, B.Zhao, E.Winborne,
S.Fisher, D.W.Green, R.L.DesJarlais, K.A.Newlander, J.F.Callahan, M.L.Moore,
W.F.Huffman, S.Abdel-Meguid; J.Med.Chem.,
38, 3246, 1995 |
| Comment |
The inhibitor incorporates
C7 mimetics that lock three aminoacid residue of a peptide into a g turn |