Ligand · I71
I71 · (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
I71, (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (C29 H50 N6 O6, 578.8 g/mol), in the…
- Component
- I71
- Formula
- C29 H50 N6 O6
- Class
- ligand
- Structures
- 3
- PDB entries
- 2
Binding sites
I71 in 3 structures; the first of them:
- 7S6Z · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33 · I71 A401 · binds THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141 and 16 more
- 7UUD · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33 · I71 A401 · binds THR25, THR26, LEU27, HIS41, TYR54, PHE140, LEU141, ASN142 and 15 more
- 7S6Z · Structure of the SARS-cov-2 main protease in complex with inhibitor MPI33 · I71 A401 · binds THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141 and 16 more
Residues it binds most
HIS 3, LEU 3, THR 3, GLN 3, MET 3, ARG 3, ASN 3, ASP 3, CYS 3, GLU 3 (residue and the binding sites it lines).
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