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Ligand · EG8

EG8 · N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine

EG8, N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine (C17 H20 N6, 308.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
EG8
Formula
C17 H20 N6
Class
ligand
Structures
4
PDB entries
2

Binding sites

EG8 in 4 structures; the first of them:

  • 4D30 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · EG8 A800 · binds MET336, LEU337, GLN478, PRO565, ALA566, VAL567, PHE584, GLY586 and 4 more
  • 4V3U · Structure of human nNOS R354A G357D mutant heme domain in complex with… · EG8 A800 · binds MET341, HIS342, GLN483, PRO570, ALA571, VAL572, PHE589, GLY591 and 4 more
  • 4D30 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · EG8 A800 · binds MET336, LEU337, GLN478, PRO565, ALA566, VAL567, PHE584, GLY586 and 4 more
  • 4V3U · Structure of human nnos R354A G357D mutant heme domain in complex with… · EG8 A800 · binds MET341, HIS342, GLN483, PRO570, ALA571, VAL572, PHE589, GLY591 and 4 more

Residues it binds most

TRP 12, ALA 12, GLN 12, GLU 12, GLY 12, MET 12, PHE 12, PRO 12, VAL 12, TYR 10 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • ACT · Acetate ion
  • GOL · Glycerol

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