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Ligand · Y7M

Y7M · (1S,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl) amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid

Y7M, (1S,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl) amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid (C25 H41 N3 O8 S, 543.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
Y7M
Formula
C25 H41 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

Y7M in 2 structures; the first of them:

  • 7LKT · 1.50 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2k · Y7M A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 10 more
  • 7LKT · 1.50 a resolution structure of SARS-cov-2 3CL protease in complex with inhibitor 2K · Y7M A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 10 more

Residues it binds most

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

Found with

  • Y4V · (1R,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl) amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
  • FLC · Citrate anion
  • PG4 · Tetraethylene glycol

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