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Ligand · QJ7

QJ7 · 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine

QJ7, 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine (C21 H23 F N4 O, 366.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its…

Component
QJ7
Formula
C21 H23 F N4 O
Class
ligand
Structures
6
PDB entries
3

Binding sites

QJ7 in 6 structures; the first of them:

  • 4JSJ · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · QJ7 A804 · binds MET336, LEU337, GLN478, PRO565, VAL567, PHE584, SER585, GLY586 and 7 more
  • 4JSM · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · QJ7 A503 · binds VAL106, LEU107, GLN249, PRO336, VAL338, PHE355, SER356, GLY357 and 7 more
  • 4UGB · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · QJ7 A904 · binds HIS128, GLN129, PRO216, ILE218, PHE235, ASN236, GLY237, TRP238 and 5 more
  • 4JSJ · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · QJ7 A804 · binds MET336, LEU337, GLN478, PRO565, VAL567, PHE584, SER585, GLY586 and 7 more
  • 4JSM · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · QJ7 A503 · binds VAL106, LEU107, GLN249, PRO336, VAL338, PHE355, SER356, GLY357 and 7 more
  • 4UGB · Structure of bacillus subtilis nitric oxide synthase in complex with… · QJ7 A904 · binds HIS128, GLN129, PRO216, ILE218, PHE235, ASN236, GLY237, TRP238 and 5 more

Residues it binds most

TRP 10, TYR 10, MET 10, VAL 8, GLN 10, GLU 10, GLY 10, PHE 10, PRO 10, LEU 8 (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
  • CL · Chloride ion
  • GOL · Glycerol

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