GL1X · GenesisL1 explorer

Ligand · Y7G

Y7G · (1S,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid

Y7G, (1S,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid (C22 H37 N3 O8 S, 503.6 g/mol), in the MolNFT structures on…

Component
Y7G
Formula
C22 H37 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

Y7G in 2 structures; the first of them:

  • 7LKS · 1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2f · Y7G A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 12 more
  • 7LKS · 1.70 a resolution structure of SARS-cov-2 3CL protease in complex with inhibitor 2F · Y7G A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 12 more

Residues it binds most

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

Found with

  • Y4P · (1R,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
  • PG4 · Tetraethylene glycol

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