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Ligand · 30E

30E · (3R,4R)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid

30E, (3R,4R)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid (C21 H28 N4 O5, 416.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
30E
Formula
C21 H28 N4 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

30E in 2 structures; the first of them:

  • 2XK7 · Structure of Nek2 bound to aminopyrazine compound 23 · 30E A1280 · binds ILE14, CYS22, VAL35, LYS37, VAL68, MET86, GLU87, TYR88 and 8 more
  • 2XK7 · Structure of NEK2 bound to aminopyrazine compound 23 · 30E A1280 · binds ILE14, CYS22, VAL35, LYS37, VAL68, MET86, GLU87, TYR88 and 8 more

Residues it binds most

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

Found with

  • CL · Chloride ion

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