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Ligand · VK4

VK4 · (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid

VK4, (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid (C30 H36 Cl2 N2 O5, 575.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
VK4
Formula
C30 H36 Cl2 N2 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

VK4 in 2 structures; the first of them:

  • 7JTW · Crystal structure of RORgt with compound (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentane… · VK4 A601 · binds GLN286, LEU287, TRP317, CYS320, HIS323, LEU324, ALA327, MET365 and 16 more
  • 7JTW · Crystal structure of rorgt with compound (4R)-6-[(2,5-dichloro-3… · VK4 A601 · binds GLN286, LEU287, TRP317, CYS320, HIS323, LEU324, ALA327, MET365 and 16 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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