GL1X · GenesisL1 explorer

Ligand · G8R

G8R · (1R,3aS,4S,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

G8R, (1R,3aS,4S,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate (C33 H42 N4 O7 S2, 670.8 g/mol), in the MolNFT…

Component
G8R
Formula
C33 H42 N4 O7 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

G8R in 2 structures; the first of them:

  • 7TO5 · HIV-1 wild type protease with GRL-05816A, with C-4 substituted cyclohexane-fused… · G8R B201 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 7TO5 · HIV-1 wild type protease with grl-05816A, with C-4 substituted cyclohexane-fused… · G8R B201 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE47, GLY48 and 16 more

Residues it binds most

ASP 2, GLY 2, ILE 2, VAL 2, ALA 2, LEU 2, LYS 2, PRO 2, ARG 1 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • FMT · Formic acid
  • GOL · Glycerol

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