GL1X · GenesisL1 explorer

Ligand · Y4P

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

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 (C22 H37 N3 O8 S, 503.6 g/mol), in the MolNFT structures on…

Component
Y4P
Formula
C22 H37 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

Y4P in 2 structures; the first of them:

  • 7LKS · 1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2f · Y4P A402 · binds LEU27, HIS41, PHE140, LEU141, ASN142, SER144, CYS145, HIS163 and 11 more
  • 7LKS · 1.70 a resolution structure of SARS-cov-2 3CL protease in complex with inhibitor 2F · Y4P A402 · binds LEU27, HIS41, PHE140, LEU141, ASN142, SER144, CYS145, HIS163 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, PHE 4 (residue and the binding sites it lines).

Found with

  • 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
  • PG4 · Tetraethylene glycol

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