Ligand · XW4
XW4 · Diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl) sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
XW4, Diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl) sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate (C35 H51 N2 O13 P S, 770.8 g/mol), in the…
- Component
- XW4
- Formula
- C35 H51 N2 O13 P S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
XW4 in 4 structures; the first of them:
- 7LEH · HIV-1 Protease WT (NL4-3) in Complex with PU9 (LR2-80) · XW4 A101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
- 7MAN · HIV-1 Protease (I84V) in Complex with PU9 (LR2-80) · XW4 A103 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
- 7LEH · HIV-1 protease wt (NL4-3) in complex with PU9 (LR2-80) · XW4 A101 · binds ARG8, ASP25, GLY27, ALA28, ASP30, VAL32, ILE47, GLY48 and 21 more
- 7MAN · HIV-1 protease (I84V) in complex with PU9 (LR2-80) · XW4 A103 · binds ARG8, ASP25, GLY27, ALA28, ASP30, VAL32, ILE47, GLY48 and 16 more
Residues it binds most
GLY 4, ASP 4, VAL 4, ILE 4, ALA 4, PRO 4, LEU 3, ARG 4, PHE 4, THR 2 (residue and the binding sites it lines).
Found with
- SO4 · Sulfate ion
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