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Ligand · XK3

XK3 · 4-[3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl]cyclohexane-1-carboxylic acid

XK3, 4-[3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl]cyclohexane-1-carboxylic acid (C17 H21 N3 O2 S, 331.4 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
XK3
Formula
C17 H21 N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

XK3 in 2 structures; the first of them:

  • 2XK3 · Structure of Nek2 bound to Aminopyrazine compound 35 · XK3 A1280 · binds ILE14, CYS22, VAL35, LYS37, VAL68, TYR70, MET86, GLU87 and 8 more
  • 2XK3 · Structure of NEK2 bound to aminopyrazine compound 35 · XK3 A1280 · binds ILE14, CYS22, VAL35, LYS37, VAL68, TYR70, MET86, GLU87 and 8 more

Residues it binds most

ASP 2, CYS 2, GLU 2, PHE 2, TYR 2, VAL 2, GLY 2, ILE 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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