GL1X · GenesisL1 explorer

Ligand · QHA

QHA · (3R,3aS,4R,6aR)-4-[(2-fluoroprop-2-en-1-yl)oxy]hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate

QHA, (3R,3aS,4R,6aR)-4-[(2-fluoroprop-2-en-1-yl)oxy]hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate (C32 H41 F N4 O9 S, 676.8 g/mol)…

Component
QHA
Formula
C32 H41 F N4 O9 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

QHA in 2 structures; the first of them:

  • 5AGZ · Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease… · QHA A1101 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 22 more
  • 5AGZ · Disubstituted bis-thf moieties as new P2 ligands in non-peptidal HIV- 1 protease… · QHA A1101 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 22 more

Residues it binds most

ASP 2, GLY 2, ILE 2, VAL 2, ALA 2, LEU 2, THR 2, ARG 2, LYS 2, PHE 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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