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Ligand · 1T8

1T8 · methyl [(2S)-1-(2-{3-[(3R,6S,10Z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate

1T8, methyl [(2S)-1-(2-{3-[(3R,6S,10Z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate (C41 H54 N6 O6…

Component
1T8
Formula
C41 H54 N6 O6
Class
ligand
Structures
4
PDB entries
2

Binding sites

1T8 in 4 structures; the first of them:

  • 4CPS · Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary… · 1T8 B1202 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, GLY48 and 20 more
  • 4CPT · Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary… · 1T8 B1202 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 4CPS · Macrocyclic transition-state mimicking HIV-1 protease inhibitors encompassing a tertiary… · 1T8 B1202 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, GLY48 and 20 more
  • 4CPT · Macrocyclic transition-state mimicking HIV-1 protease inhibitors encompassing a tertiary… · 1T8 B1202 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more

Residues it binds most

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

Found with

  • CL · Chloride ion

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