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Ligand · YTJ

YTJ · 2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2H-[1, 3'-bipyridin]-5-yl}benzonitrile

YTJ, 2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2H-[1, 3'-bipyridin]-5-yl}benzonitrile (C26 H20 Cl N3 O3, 457.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
YTJ
Formula
C26 H20 Cl N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

YTJ in 2 structures; the first of them:

  • 7M8X · Crystal structure of the SARS-cov-2(2019-ncov) main protease in complex with compound 6 · YTJ A401 · binds THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141 and 16 more
  • 7M8X · Crystal structure of the SARS-cov-2(2019-ncov) main protease in complex with compound 6 · YTJ A401 · binds THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141 and 16 more

Residues it binds most

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

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