GL1X · GenesisL1 explorer

Ligand · 8H3

8H3 · (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

8H3, (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (C31 H54 N6 O6, 606.8 g/mol), in the…

Component
8H3
Formula
C31 H54 N6 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

8H3 in 2 structures; the first of them:

  • 7S70 · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI34 · 8H3 A401 · binds THR24, THR25, THR26, LEU27, HIS41, TYR54, PHE140, LEU141 and 16 more
  • 7S70 · Structure of the SARS-cov-2 main protease in complex with inhibitor MPI34 · 8H3 A401 · binds THR24, THR25, THR26, LEU27, HIS41, TYR54, PHE140, LEU141 and 16 more

Residues it binds most

HIS 2, THR 2, LEU 2, GLN 2, ARG 2, ASN 2, ASP 2, CYS 2, GLU 2, GLY 2 (residue and the binding sites it lines).

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