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Ligand · Y4J

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

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 (C24 H39 N3 O8 S, 529.6 g/mol), in the MolNFT structures on…

Component
Y4J
Formula
C24 H39 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

Y4J in 2 structures; the first of them:

  • 7LKV · 1.55 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c · Y4J A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, SER144, CYS145 and 10 more
  • 7LKV · 1.55 a resolution structure of SARS-cov-2 3CL protease in complex with inhibitor 3C · Y4J 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

  • 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
  • EDO · 1,2-ethanediol

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