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Ligand · KGQ

KGQ · Diethyl ({4-[(2S,3R)-2-({[(3r,3as,6ar)-hexahydrofuro[2, 3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl) sulfonyl]amino}butyl]phenoxy}methyl)phosphonate

KGQ, Diethyl ({4-[(2S,3R)-2-({[(3r,3as,6ar)-hexahydrofuro[2, 3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl) sulfonyl]amino}butyl]phenoxy}methyl)phosphonate (C33 H49 N2 O12 P S, 728.8 g/mol), in the MolNFT…

Component
KGQ
Formula
C33 H49 N2 O12 P S
Class
ligand
Structures
4
PDB entries
2

Binding sites

KGQ in 4 structures; the first of them:

  • 7LE7 · HIV-1 Protease WT (NL4-3) in Complex with GS-8374 · KGQ A104 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 17 more
  • 7MAB · HIV-1 Protease (I84V) in Complex with GS-8374 · KGQ A105 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 17 more
  • 7LE7 · HIV-1 protease wt (NL4-3) in complex with gs-8374 · KGQ A104 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 17 more
  • 7MAB · HIV-1 protease (I84V) in complex with gs-8374 · KGQ A105 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 17 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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