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Ligand · 0GD

0GD · 6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine

0GD, 6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine (C21 H22 F N3, 335.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å…

Component
0GD
Formula
C21 H22 F N3
Class
ligand
Structures
6
PDB entries
3

Binding sites

0GD in 6 structures; the first of them:

  • 4D7I · Structure of Bacillus subtilis nitric oxide synthase I218V in complex with… · 0GD A904 · binds HIS128, GLN129, PRO216, VAL218, PHE235, ASN236, GLY237, TRP238 and 5 more
  • 4D7J · Structure of Bacillus subtilis nitric oxide synthase in complex with… · 0GD A904 · binds HIS128, GLN129, PRO216, ILE218, PHE235, ASN236, GLY237, TRP238 and 5 more
  • 4D7O · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · 0GD A800 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 8 more
  • 4D7I · Structure of bacillus subtilis nitric oxide synthase I218V in complex with… · 0GD A904 · binds HIS128, GLN129, PRO216, VAL218, PHE235, ASN236, GLY237, TRP238 and 5 more
  • 4D7J · Structure of bacillus subtilis nitric oxide synthase in complex with… · 0GD A904 · binds HIS128, GLN129, PRO216, ILE218, PHE235, ASN236, GLY237, TRP238 and 5 more
  • 4D7O · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · 0GD A800 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 8 more

Residues it binds most

TRP 8, TYR 8, MET 8, GLN 8, GLU 8, GLY 8, PHE 8, PRO 8, VAL 6, ARG 4 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • HEM · Protoporphyrin IX containing Fe
  • CL · Chloride ion
  • GOL · Glycerol
  • ZN · Zinc ion
  • ACT · Acetate ion
  • PEG · Di(hydroxyethyl)ether
  • POL · N-propanol

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