GL1X · GenesisL1 explorer

Ligand · Y8S

Y8S · (1R,2S)-2-((S)-2-(((((1R,3S,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

Y8S, (1R,2S)-2-((S)-2-(((((1R,3S,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
Y8S
Formula
C24 H39 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

Y8S in 2 structures; the first of them:

  • 7LKW · 1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3d… · Y8S A401 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 11 more
  • 7LKW · 1.65 a resolution structure of SARS-cov-2 3CL protease in complex with inhibitor 3D… · Y8S A401 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 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

  • Y8V · (1S,2S)-2-((S)-2-(((((1R,3S,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
  • CL · Chloride ion
  • PO4 · Phosphate ion

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