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Ligand · Y48

Y48 · (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl) amino]propane-1-sulfonic acid

Y48, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl) amino]propane-1-sulfonic acid (C21 H28 F3 N3 O8 S, 539.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
Y48
Formula
C21 H28 F3 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

Y48 in 2 structures; the first of them:

  • 7TIY · Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-48 · Y48 A401 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 12 more
  • 7TIY · Crystal structure of SARS-cov-2 3CL in complex with inhibitor NK01-48 · Y48 A401 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 12 more

Residues it binds most

HIS 2, LEU 2, ALA 2, ARG 2, ASN 2, ASP 2, CYS 2, GLN 2, GLU 2, GLY 2 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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