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Ligand · KL7

KL7 · 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine

KL7, 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine (C19 H25 F2 N3, 333.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues within…

Component
KL7
Formula
C19 H25 F2 N3
Class
ligand
Structures
4
PDB entries
3

Binding sites

KL7 in 4 structures; the first of them:

  • 6NH6 · Structure of the human endothelial nitric oxide synthase heme domain in complex with… · KL7 A503 · binds PHE105, PRO334, VAL336, MET339, PHE353, SER354, GLY355, TRP356 and 4 more
  • 6NGA · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · KL7 A803 · binds HIS342, GLN483, PRO570, VAL572, PHE589, SER590, GLY591, TRP592 and 4 more
  • 6NGT · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · KL7 A803 · binds GLN478, PRO565, VAL567, PHE584, SER585, GLY586, TRP587, TYR588 and 4 more
  • 6NH6 · Structure of the human endothelial nitric oxide synthase heme domain in complex with… · KL7 A503 · binds PHE105, PRO334, VAL336, MET339, PHE353, SER354, GLY355, TRP356 and 4 more

Residues it binds most

TYR 12, PHE 12, TRP 12, MET 11, VAL 12, GLU 12, GLY 12, PRO 12, SER 12, GLN 6 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • GD · Gadolinium atom
  • CL · Chloride ion
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
  • GOL · Glycerol
  • ACT · Acetate ion

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