GL1X · GenesisL1 explorer

Ligand · 8G9

8G9 · (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

8G9, (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (C26 H45 N5 O5, 507.7 g/mol), in the MolNFT structures on…

Component
8G9
Formula
C26 H45 N5 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

8G9 in 2 structures; the first of them:

  • 7S6W · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI29 · 8G9 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more
  • 7S6W · Structure of the SARS-cov-2 main protease in complex with inhibitor MPI29 · 8G9 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more

Residues it binds most

HIS 4, GLN 4, LEU 4, MET 4, SER 4, ARG 4, ASN 4, ASP 4, CYS 4, GLU 4 (residue and the binding sites it lines).

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