GL1X · GenesisL1 explorer

Ligand · G77

G77 · (1s,3ar,4r,6r,7as)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3, 5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate

G77, (1s,3ar,4r,6r,7as)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3, 5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate (C33 H40 F2 N4 O7 S2, 706.8 g/mol)…

Component
G77
Formula
C33 H40 F2 N4 O7 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

G77 in 2 structures; the first of them:

  • 7TO6 · HIV-1 wild type protease with GRL-01717A, with C-4 substituted cyclohexane-fused… · G77 B201 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 7TO6 · HIV-1 wild type protease with grl-01717A, with C-4 substituted cyclohexane-fused… · G77 B201 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE47, GLY48 and 15 more

Residues it binds most

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

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • ACT · Acetate ion

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