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Ligand · IJE

IJE · {2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid

IJE, {2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid (C17 H24 N3 O5 P, 381.4 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
IJE
Formula
C17 H24 N3 O5 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

IJE in 2 structures; the first of them:

  • 6XKD · Structure of ligand-bound mouse cGAMP hydrolase ENPP1 · IJE A1011 · binds ASP200, THR238, PHE239, ASN259, LEU272, LYS277, PHE303, TRP304 and 12 more
  • 6XKD · Structure of ligand-bound mouse cgamp hydrolase ENPP1 · IJE A1011 · binds ASP200, THR238, PHE239, ASN259, LEU272, LYS277, TRP304, PRO305 and 8 more

Residues it binds most

ASP 2, HIS 2, TYR 2, PHE 2, ASN 2, GLY 2, LEU 2, LYS 2, PRO 2, THR 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion

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