GL1X · GenesisL1 explorer

Ligand · 5AH

5AH · Methyl [(1S)-1-({2-[(3S)-3-benzyl-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-oxobutyl]-2-(4-pyridin-2-ylbenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate

5AH, Methyl [(1S)-1-({2-[(3S)-3-benzyl-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-oxobutyl]-2-(4-pyridin-2-ylbenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate (C40 H47 N5 O6, 693.8 g/mol), in the MolNFT…

Component
5AH
Formula
C40 H47 N5 O6
Class
ligand
Structures
4
PDB entries
2

Binding sites

5AH in 4 structures; the first of them:

  • 2WKZ · HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic… · 5AH B1200 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 2WL0 · HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic… · 5AH A1100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, THR31 and 22 more
  • 2WKZ · HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimic… · 5AH B1200 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 2WL0 · HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimic… · 5AH A1100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, THR31 and 22 more

Residues it binds most

ASP 4, GLY 4, ILE 4, VAL 4, ALA 4, LEU 4, PRO 4, ARG 4, THR 2, PHE 4 (residue and the binding sites it lines).

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