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Ligand · YLM

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

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 (C21 H30 F N3 O8 S, 503.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2…

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

Binding sites

YLM in 4 structures; the first of them:

  • 7LZV · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 19b · YLM A401 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 11 more
  • 7LZW · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 20b (deuterated analog of… · YLM A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 10 more
  • 7LZV · Structure of SARS-cov-2 3CL protease in complex with inhibitor 19B · YLM A401 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 11 more
  • 7LZW · Structure of SARS-cov-2 3CL protease in complex with inhibitor 20B (deuterated analog of… · YLM A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 10 more

Residues it binds most

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

Found with

  • 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
  • PG4 · Tetraethylene glycol

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