Ligand · XUM
XUM · Diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl) sulfonyl](2-methylpropyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
XUM, Diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl) sulfonyl](2-methylpropyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate (C33 H47 N2 O13 P S, 742.8 g/mol), in…
- Component
- XUM
- Formula
- C33 H47 N2 O13 P S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
XUM in 4 structures; the first of them:
- 7LE8 · HIV-1 Protease WT (NL4-3) in Complex with PD4 (LR4-23) · XUM A101 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 23 more
- 7MAC · HIV-1 Protease (I84V) in Complex with PD4 (LR4-23) · XUM A101 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 22 more
- 7LE8 · HIV-1 protease wt (NL4-3) in complex with PD4 (LR4-23) · XUM A101 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 20 more
- 7MAC · HIV-1 protease (I84V) in complex with PD4 (LR4-23) · XUM A101 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 17 more
Residues it binds most
GLY 4, ASP 4, ILE 4, VAL 4, ALA 4, LEU 4, PRO 4, ARG 4, PHE 4 (residue and the binding sites it lines).
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