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Ligand · 79K

79K · Vercirnon

79K, Vercirnon (C22 H21 Cl N2 O4 S, 444.9 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, the residues it binds most and the ligands found with it.

Component
79K
Formula
C22 H21 Cl N2 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

79K in 2 structures; the first of them:

  • 5LWE · Crystal structure of the human CC chemokine receptor type 9 (CCR9) in complex with… · 79K A401 · binds VAL69, VAL72, TYR73, ARG78, THR81, THR83, ASP84, LEU87 and 12 more
  • 5LWE · Crystal structure of the human cc chemokine receptor type 9 (CCR9) in complex with… · 79K A401 · binds VAL69, VAL72, TYR73, ARG78, THR81, THR83, ASP84, LEU87 and 12 more

Residues it binds most

ARG 4, THR 4, VAL 4, ALA 4, ASP 4, TYR 4, GLU 4, GLY 4, ILE 4, LEU 4 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • OLA · Oleic acid
  • MLI · Malonate ion

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