GL1X · GenesisL1 explorer

Ligand · 8GW

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

8GW, (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (C31 H52 N6 O6, 604.8…

Component
8GW
Formula
C31 H52 N6 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

8GW in 2 structures; the first of them:

  • 7S6Y · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI32 · 8GW A401 · binds THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141 and 16 more
  • 7S6Y · Structure of the SARS-cov-2 main protease in complex with inhibitor MPI32 · 8GW A401 · binds THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141 and 16 more

Residues it binds most

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

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