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Ligand · XF1

XF1 · 2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile

XF1, 2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile (C26 H20 Cl N3 O2, 441.9 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…

Component
XF1
Formula
C26 H20 Cl N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XF1 in 2 structures; the first of them:

  • 7L11 · Crystal structure of the SARS-cov-2(2019-ncov) main protease in complex with compound 5 · XF1 A400 · binds THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141 and 16 more
  • 7L11 · Crystal structure of the SARS-cov-2(2019-ncov) main protease in complex with compound 5 · XF1 A400 · binds THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141 and 16 more

Residues it binds most

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

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