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Ligand · YHI

YHI · benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

YHI, benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate (C23 H31 N3 O5, 429.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2…

Component
YHI
Formula
C23 H31 N3 O5
Class
ligand
Structures
3
PDB entries
2

Binding sites

YHI in 3 structures; the first of them:

  • 7LYI · Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor… · YHI A503 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 9 more
  • 8TQJ · MPI57 bound to Mpro of SARS-CoV-2 · YHI A401 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 8 more
  • 7LYI · Crystal structure of the SARS-cov-2 (COVID-19) main protease in complex with inhibitor… · YHI A503 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 9 more

Residues it binds most

HIS 3, MET 3, ARG 3, ASN 3, ASP 3, CYS 3, GLN 3, GLU 3, GLY 3, LEU 3 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • GOL · Glycerol

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