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Ligand · YL7

YL7 · (1S,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl) amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3, 4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid

YL7, (1S,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl) amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3, 4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid (C21 H28 F N3 O8 S, 501.5 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
YL7
Formula
C21 H28 F N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

YL7 in 2 structures; the first of them:

  • 7M02 · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 17c · YL7 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 13 more
  • 7M02 · Structure of SARS-cov-2 3CL protease in complex with inhibitor 17C · YL7 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 13 more

Residues it binds most

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

Found with

  • YKY · (1R,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl) amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3, 4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid
  • PG4 · Tetraethylene glycol

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