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Ligand · GRL

GRL · (3as,5r,6ar)-hexahydro-2H-cyclopenta[b]furan-5-yl (2S,3S)-3-hydroxy-4-(4-(hydroxymethyl)-N-isobutylphenylsulfonamido)-1-phenylbutan-2-ylcarbamate

GRL, (3as,5r,6ar)-hexahydro-2H-cyclopenta[b]furan-5-yl (2S,3S)-3-hydroxy-4-(4-(hydroxymethyl)-N-isobutylphenylsulfonamido)-1-phenylbutan-2-ylcarbamate (C29 H40 N2 O7 S, 560.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4…

Component
GRL
Formula
C29 H40 N2 O7 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

GRL in 4 structures; the first of them:

  • 2HB3 · Wild-type HIV-1 Protease in complex with potent inhibitor GRL06579 · GRL B201 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 3EC0 · High Resolution HIV-2 Protease Structure in Complex with Antiviral Inhibitor GRL-06579A · GRL A201 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE32 and 21 more
  • 2HB3 · Wild-type HIV-1 protease in complex with potent inhibitor GRL06579 · GRL B201 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 3EC0 · High resolution HIV-2 protease structure in complex with antiviral inhibitor grl-06579A · GRL A201 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE32 and 21 more

Residues it binds most

ILE 4, ASP 4, GLY 4, VAL 4, LEU 4, ALA 4, PRO 4, ARG 4, MET 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • ZN · Zinc ion
  • GOL · Glycerol
  • IMD · Imidazole

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