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Ligand · LK0

LK0 · methyl N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate

LK0, methyl N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate (C39 H53 N5 O7, 703.9 g/mol)…

Component
LK0
Formula
C39 H53 N5 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

LK0 in 2 structures; the first of them:

  • 3S85 · Discovery of New HIV Protease Inhibitors with Potential for Convenient Dosing and Reduced… · LK0 B1000 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 3S85 · Discovery of new HIV protease inhibitors with potential for convenient dosing and reduced… · LK0 B1000 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more

Residues it binds most

ASP 12, GLY 12, ILE 12, VAL 12, ALA 12, PRO 12, ARG 12, LEU 12, GLU 2, TRP 2 (residue and the binding sites it lines).

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