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Ligand · I68

I68 · N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide

I68, N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide (C25 H47 N5 O5, 497.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
I68
Formula
C25 H47 N5 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

I68 in 2 structures; the first of them:

  • 7S74 · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI38 · I68 A401 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 13 more
  • 7S74 · Structure of the SARS-cov-2 main protease in complex with inhibitor MPI38 · I68 A401 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 13 more

Residues it binds most

HIS 4, GLN 4, LEU 4, SER 4, ARG 4, ASN 4, ASP 4, CYS 4, GLU 4, GLY 4 (residue and the binding sites it lines).

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