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Ligand · 9MW

9MW · methyl [(2S)-1-(2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate

9MW, methyl [(2S)-1-(2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate (C43 H58 N6 O6…

Component
9MW
Formula
C43 H58 N6 O6
Class
ligand
Structures
4
PDB entries
2

Binding sites

9MW in 4 structures; the first of them:

  • 4CP7 · Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary… · 9MW A1101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE47 and 21 more
  • 4CPQ · Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary… · 9MW A1101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE47 and 21 more
  • 4CP7 · Macrocyclic transition-state mimicking HIV-1 protease inhibitors encompassing a tertiary… · 9MW A1101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE47 and 21 more
  • 4CPQ · Macrocyclic transition-state mimicking HIV-1 protease inhibitors encompassing a tertiary… · 9MW A1101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE47 and 21 more

Residues it binds most

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

Found with

  • CL · Chloride ion

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