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Ligand · XVU

XVU · 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine

XVU, 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine (C18 H23 F2 N3, 319.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within…

Component
XVU
Formula
C18 H23 F2 N3
Class
ligand
Structures
2
PDB entries
2

Binding sites

XVU in 2 structures; the first of them:

  • 8FGA · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · XVU A803 · binds MET336, PRO565, VAL567, MET570, PHE584, SER585, GLY586, TRP587 and 4 more
  • 8FGO · Structure of human endothelial nitric oxide synthase heme domain in complex with… · XVU A503 · binds VAL104, PHE105, GLN247, PRO334, VAL336, PHE353, SER354, GLY355 and 6 more

Residues it binds most

TRP 6, TYR 6, PHE 6, VAL 6, MET 6, GLU 6, GLY 6, PRO 6, SER 6, ARG 4 (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
  • ACT · Acetate ion
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
  • GOL · Glycerol

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