GL1X · GenesisL1 explorer

Ligand · XUP

XUP · Diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl) sulfonyl](2-methylpropyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XUP, Diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-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 H46 N3 O11 P S2, 755.8 g/mol), in…

Component
XUP
Formula
C33 H46 N3 O11 P S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

XUP in 4 structures; the first of them:

  • 7LE9 · HIV-1 Protease WT (NL4-3) in Complex with PD5 (LR4-22) · XUP A102 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 22 more
  • 7MAD · HIV-1 Protease (I84V) in Complex with PD5 (LR4-22) · XUP A101 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 21 more
  • 7LE9 · HIV-1 protease wt (NL4-3) in complex with PD5 (LR4-22) · XUP A102 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 22 more
  • 7MAD · HIV-1 protease (I84V) in complex with PD5 (LR4-22) · XUP A101 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 21 more

Residues it binds most

GLY 4, ASP 4, ILE 4, VAL 4, ALA 4, LEU 4, ARG 4, PHE 4, PRO 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.