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Ligand · LKJ

LKJ · (2R)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2R)-2-(1H-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid

LKJ, (2R)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2R)-2-(1H-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid (C53 H60…

Component
LKJ
Formula
C53 H60 N8 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

LKJ in 2 structures; the first of them:

  • 3LKJ · Small Molecule Inhibition of the TNF Family Cyokine CD40 Ligand Through a Subunit… · LKJ C1 · binds LEU168, TYR170, VAL228, PHE229, GLU230, LEU259, LEU261, TYR170 and 24 more
  • 3LKJ · Small molecule inhibition of the TNF family cyokine CD40 ligand through a subunit… · LKJ C1 · binds LEU168, TYR170, VAL228, PHE229, GLU230, LEU259, LEU261, TYR170 and 24 more

Residues it binds most

LEU 2, TYR 2, ALA 2, GLY 2, HIS 2, GLN 2, GLU 2, ILE 2, PHE 2, VAL 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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