GL1X · GenesisL1 explorer

Ligand · Y51

Y51 · (1R,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid

Y51, (1R,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid (C22 H35 N3 O8 S, 501.6 g/mol), in the MolNFT structures on…

Component
Y51
Formula
C22 H35 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

Y51 in 2 structures; the first of them:

  • 7LKX · 1.60 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3e · Y51 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, SER144, CYS145 and 10 more
  • 7LKX · 1.60 a resolution structure of SARS-cov-2 3CL protease in complex with inhibitor 3E · Y51 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, SER144, CYS145 and 10 more

Residues it binds most

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

Found with

  • Y71 · (1S,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-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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