| SYSTEM |
HIV-1
PR
(BRU isolate)with inhibitor
VX-478
|
| HIVdb File |
hiv1vpi
|
| PDB File (if present) |
1hpv
|
| Company or Laboratory |
Vertex Pharmaceuticals
Incorporated
|
| Year |
1995
|
| INHIBITOR (Type) |
VX-478 (hydroxyethylene
isostere)amino sulfonamide inhibitor
|
| Composition of the Inhibitor
(Substrate) or Summary Formula |
(3 (S) - N - (3 - tetrahydrofuranyl
oxycarbonyl) amino - 1 - ( N,N-isobutyl, 4 - aminobenzene sulfonyl) amino
- 2 - (S) - hydroxy - 4 - phenylbutane
|
| Schematic Formula |
VX-478
|
| Resolution |
1.9Ao
|
| R factor |
0.192
|
| Space Group |
P61
|
| Dimension of Elementary
Cell |
a=63.40,b=63.40,c=83.80
|
| a,b,g
(alpha,beta,gamma)
|
a=b=90.00 g=120.00
|
| Reference |
E.E.Kim, C.T. Baker, M.D.Dwyer,
M.A. Murcko, B.G.Rao, R.D.Tung, M.A.Navia, J.Am.Chem.Soc., 117,
1181, 1995 |
| Comment |
Low molecular weight, orally
bioavailable HIV proteinase inhibitor. Synthetic accesible, high antiviral
potency,low cellular toxicity and aqueous solubility without obligate charges |