| SYSTEM |
HIV-1
PR
(NY5 isolate) with pseudo
C2-symmetry inhibitor L-700,417
|
| HIVdb File |
hiv3msd
|
| PDB File |
4phv
|
| Company or Laboratory |
Merck, Sharp and Dohme
Res. Lab
|
| Year |
1991
|
| INHIBITOR (Type) |
L-700,417
(hydroxyethylene isostere)
|
| Composition of the Inhibitor
(Substrate) or Summary Formula |
N,N- bis (2(R)- hydroxy-
1(S)- indanyl- 2,6- R,R)- diphenyl methyl - 4 - hydroxy- 1,7- heptan diamide
|
| Resolution |
2.1Ao
|
| R factor |
0.18
|
| Space Group |
P21212
|
| Dimension of Elementary
Cell |
a=58.88,b=86.80,c=46.79
|
| a,b,g
(alpha,beta,gamma)
|
a=b=g=90
|
| Reference |
R.Bone, J.P.Vacca,P. Anderson,
M.K. Holloway; J.Am.Chem.Soc, 113, p.9382, 1991 |
| Comment |
Pseudosymmetric inhibitor
based upon L-685,434. Present Vac I 1 and Vac I 2 orientation of the inhibitors
with respect to the active site. |