GL1X · GenesisL1 explorer

Ligand · Y71

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

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 (C22 H35 N3 O8 S, 501.6 g/mol), in the MolNFT structures on…

Component
Y71
Formula
C22 H35 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

Y71 in 2 structures; the first of them:

  • 7LKX · 1.60 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3e · Y71 A402 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 11 more
  • 7LKX · 1.60 a resolution structure of SARS-cov-2 3CL protease in complex with inhibitor 3E · Y71 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

  • 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
  • PG4 · Tetraethylene glycol

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