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Ligand · Q05

Q05 · 6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine

Q05, 6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine (C22 H24 F N3 O, 365.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…

Component
Q05
Formula
C22 H24 F N3 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

Q05 in 4 structures; the first of them:

  • 4JSI · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · Q05 A803 · binds MET336, LEU337, PRO565, VAL567, MET570, PHE584, SER585, GLY586 and 7 more
  • 4UGA · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · Q05 A904 · binds HIS128, PRO216, ILE218, MET221, PHE235, ASN236, GLY237, TRP238 and 5 more
  • 4JSI · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · Q05 A803 · binds MET336, LEU337, PRO565, VAL567, MET570, PHE584, SER585, GLY586 and 7 more
  • 4UGA · Structure of bacillus subtilis nitric oxide synthase in complex with… · Q05 A904 · binds HIS128, PRO216, ILE218, MET221, PHE235, ASN236, GLY237, TRP238 and 5 more

Residues it binds most

MET 6, TRP 6, TYR 6, GLU 6, GLY 6, PHE 6, PRO 6, LEU 4, SER 4, VAL 4 (residue and the binding sites it lines).

Found with

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

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