Ligand · 8I7
8I7 · (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
8I7, (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (C26 H44 N4 O5, 492.7 g/mol), in the MolNFT structures on GenesisL1…
- Component
- 8I7
- Formula
- C26 H44 N4 O5
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
8I7 in 2 structures; the first of them:
- 7S75 · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI42 · 8I7 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 13 more
- 7S75 · Structure of the SARS-cov-2 main protease in complex with inhibitor MPI42 · 8I7 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 13 more
Residues it binds most
HIS 2, GLN 2, LEU 2, MET 2, ARG 2, ASN 2, ASP 2, CYS 2, GLU 2, GLY 2 (residue and the binding sites it lines).
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