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Ligand · E2Z

E2Z · 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine

E2Z, 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine (C17 H18 F N5, 311.4 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
E2Z
Formula
C17 H18 F N5
Class
ligand
Structures
4
PDB entries
2

Binding sites

E2Z in 4 structures; the first of them:

  • 4D34 · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · E2Z A800 · binds VAL106, LEU107, CYS186, GLN249, PRO336, ALA337, VAL338, PHE355 and 5 more
  • 4V3W · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · E2Z A800 · binds MET336, CYS415, GLN478, PRO565, ALA566, VAL567, PHE584, GLY586 and 3 more
  • 4D34 · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · E2Z A800 · binds VAL106, LEU107, CYS186, GLN249, PRO336, ALA337, VAL338, PHE355 and 5 more
  • 4V3W · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · E2Z A800 · binds MET336, CYS415, GLN478, PRO565, ALA566, VAL567, PHE584, GLY586 and 3 more

Residues it binds most

TRP 8, VAL 8, ALA 8, CYS 8, GLN 8, GLU 8, GLY 8, PHE 8, PRO 8, LEU 4 (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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