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Ligand · 3DV

3DV · 4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid

3DV, 4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid (C17 H13 N3 O3, 307.3 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…

Component
3DV
Formula
C17 H13 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

3DV in 2 structures; the first of them:

  • 4QYF · CHK1 kinase domain in complex with aminopyrazine compound 13 · 3DV A301 · binds LEU15, VAL23, ALA36, LYS38, GLU55, VAL68, LEU84, GLU85 and 8 more
  • 4QYF · CHK1 kinase domain in complex with aminopyrazine compound 13 · 3DV A301 · binds LEU15, VAL23, ALA36, LYS38, GLU55, VAL68, LEU84, GLU85 and 8 more

Residues it binds most

GLU 2, LEU 2, SER 2, VAL 2, ALA 2, ASP 2, CYS 2, GLY 2, LYS 2, TYR 2 (residue and the binding sites it lines).

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