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Ligand · XEY

XEY · 2-[3-(3,5-dichlorophenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile

XEY, 2-[3-(3,5-dichlorophenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile (C23 H13 Cl2 N3 O, 418.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
XEY
Formula
C23 H13 Cl2 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

XEY in 2 structures; the first of them:

  • 7L10 · Crystal structure of the SARS-cov-2 (2019-ncov) main protease in complex with compound 4 · XEY A400 · binds THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141 and 12 more
  • 7L10 · Crystal structure of the SARS-cov-2 (2019-ncov) main protease in complex with compound 4 · XEY A400 · binds THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141 and 12 more

Residues it binds most

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

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