| SYSTEM |
HIV-2
PR
(isolate unknown)mutant
(K57L) with inhibitor U096333
|
| HIVdb File |
hiv7ulk
|
| PDB File |
3upj
|
| Company or Laboratory |
Upjohn Company, Kalamazoo
|
| Year |
1995
|
| INHIBITOR (Type) |
U096333
(carboxamide-containing
4-hydroxycoumarin inhibitor)
|
| Composition of the Inhibitor
(Substrate) or Summary Formula |
[4- hydroxy -3- [1-
(phenyl) propyl] - 7 - methoxy coumarin
|
| Schematic Formula |
U096333
|
| Resolution |
2.5Ao
|
| R factor |
0.172
|
| Space Group |
P212121
|
| Dimension of Elementary
Cell |
a=34.019,b=46.004,c=134.18
|
| a,b,g
(alpha,beta,gamma)
|
a=b=g=90
|
| Reference |
S.Thaisrivongs,K.D.Watenpaugh,
W.J.Howe, P.K. Tomich, L.A.Dolak, K.T.Chong, C.C. Tomich, A.G.Tomasselli,
S.R. Turner, J.W.Strohbach et al.; J.Med.Chem,
38, 3624, 1995 |
| Comment |
Atoms OA2 and OA3 of residue
U03 [the inhibitor] are, respectively, the carbonyl oxygen and ring oxygen
of the lactonic function. |