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Ligand · YLS

YLS · (1S,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl) amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid

YLS, (1S,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl) amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid (C21 H30 F N3 O8 S, 503.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2…

Component
YLS
Formula
C21 H30 F N3 O8 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

YLS in 4 structures; the first of them:

  • 7LZV · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 19b · YLS A402 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 8 more
  • 7LZW · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 20b (deuterated analog of… · YLS A402 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 11 more
  • 7LZV · Structure of SARS-cov-2 3CL protease in complex with inhibitor 19B · YLS A402 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 8 more
  • 7LZW · Structure of SARS-cov-2 3CL protease in complex with inhibitor 20B (deuterated analog of… · YLS A402 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 11 more

Residues it binds most

HIS 8, MET 8, ARG 8, ASN 8, ASP 8, CYS 8, GLN 8, GLU 8, GLY 8, LEU 8 (residue and the binding sites it lines).

Found with

  • YLM · (1R,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl) amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
  • PG4 · Tetraethylene glycol

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