GL1X · GenesisL1 explorer

Ligand · Y64

Y64 · (1S,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid

Y64, (1S,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid (C24 H39 N3 O8 S, 529.6 g/mol), in the MolNFT structures on…

Component
Y64
Formula
C24 H39 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

Y64 in 2 structures; the first of them:

  • 7LKV · 1.55 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c · Y64 A402 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 11 more
  • 7LKV · 1.55 a resolution structure of SARS-cov-2 3CL protease in complex with inhibitor 3C · Y64 A402 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 11 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

  • Y4J · (1R,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
  • EDO · 1,2-ethanediol

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