GL1X · GenesisL1 explorer

Ligand · Y4V

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

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 (C25 H41 N3 O8 S, 543.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
Y4V
Formula
C25 H41 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

Y4V in 2 structures; the first of them:

  • 7LKT · 1.50 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2k · Y4V A402 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, SER144, CYS145 and 12 more
  • 7LKT · 1.50 a resolution structure of SARS-cov-2 3CL protease in complex with inhibitor 2K · Y4V A402 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, SER144, CYS145 and 12 more

Residues it binds most

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

Found with

  • 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
  • FLC · Citrate anion
  • PG4 · Tetraethylene glycol

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.