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Ligand · 4VQ

4VQ · 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid

4VQ, 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid (C21 H21 N3 O5, 395.4 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, the…

Component
4VQ
Formula
C21 H21 N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

4VQ in 2 structures; the first of them:

  • 2XKC · Structure of Nek2 bound to aminopyrazine compound 14 · 4VQ A1280 · binds ILE14, CYS22, VAL35, LYS37, VAL68, MET86, GLU87, TYR88 and 8 more
  • 2XKC · Structure of NEK2 bound to aminopyrazine compound 14 · 4VQ A1280 · binds ILE14, CYS22, VAL35, LYS37, VAL68, MET86, GLU87, TYR88 and 8 more

Residues it binds most

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

Found with

  • CL · Chloride ion

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