Ligand · I70
I70 · (1R,2S,5S)-N-{(2S,3R)-4-amino-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
I70, (1R,2S,5S)-N-{(2S,3R)-4-amino-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 (C27 H46 N6 O6, 550.7 g/mol), in the MolNFT…
- Component
- I70
- Formula
- C27 H46 N6 O6
- Class
- ligand
- Structures
- 7
- PDB entries
- 6
Binding sites
I70 in 7 structures; the first of them:
- 7QL8 · SARS-COV2 Main Protease in complex with inhibitor MG78 · I70 AAA401 · binds THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141, ASN142 and 16 more
- 7QUB · EV-A71-3Cpro in complex with inhibitor MG78 · I70 AAA201 · binds HIS24, PHE25, ARG39, HIS40, GLU71, LEU125, ASN126, LEU127 and 13 more
- 7QUW · CVB3-3Cpro in complex with inhibitor MG-78 · I70 AAA201 · binds PHE25, ARG39, HIS40, GLU71, LEU125, ASN126, LEU127, GLY128 and 12 more
- 7S6X · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI30 · I70 A401 · binds THR26, LEU27, HIS41, TYR54, PHE140, LEU141, ASN142, GLY143 and 14 more
- 7SET · SARS-CoV-2 Main Protease (Mpro) in Complex with ML1000 · I70 A401 · binds THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141, ASN142 and 16 more
- 8UPS · Structure of SARS-Cov2 3CLPro in complex with Compound 5 · I70 A401 · binds THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141, ASN142 and 16 more
- 7S6X · Structure of the SARS-cov-2 main protease in complex with inhibitor MPI30 · I70 A401 · binds HIS41, TYR54, PHE140, ASN142, GLY143, SER144, CYS145, HIS163 and 11 more
Residues it binds most
HIS 7, LEU 7, GLY 7, GLN 7, THR 7, ASN 7, ARG 7, MET 5, PHE 7, CYS 7 (residue and the binding sites it lines).
Found with
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