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Ligand · 7YI

7YI · benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate

7YI, benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate (C26 H36 N4 O6, 500.6 g/mol), in the MolNFT structures on GenesisL1…

Component
7YI
Formula
C26 H36 N4 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

7YI in 2 structures; the first of them:

  • 7RVX · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI24 · 7YI A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more
  • 7RVX · Structure of the SARS-cov-2 main protease in complex with inhibitor MPI24 · 7YI A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 11 more

Residues it binds most

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

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