Ligand · 8I0
8I0 · (1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-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
8I0, (1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-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 (C34 H52 N6 O6, 640.8 g/mol), in the…
- Component
- 8I0
- Formula
- C34 H52 N6 O6
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
8I0 in 2 structures; the first of them:
- 7S72 · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI36 · 8I0 A401 · binds THR24, THR25, THR26, LEU27, HIS41, TYR54, PHE140, LEU141 and 16 more
- 7S72 · Structure of the SARS-cov-2 main protease in complex with inhibitor MPI36 · 8I0 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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