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Ligand · 9M9

9M9 · 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine

9M9, 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine (C17 H17 N3 O, 279.3 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, the residues it binds most…

Component
9M9
Formula
C17 H17 N3 O
Class
ligand
Structures
6
PDB entries
3

Binding sites

9M9 in 6 structures; the first of them:

  • 5AD8 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · 9M9 A800 · binds MET336, PRO565, VAL567, ASN569, MET570, PHE584, TRP587, TYR588 and 4 more
  • 5ADM · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · 9M9 A800 · binds SER248, GLN249, ARG252, PRO336, VAL338, PHE355, TRP358, TYR359 and 3 more
  • 5G6M · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · 9M9 A904 · binds HIS128, PRO216, ILE218, ASP220, MET221, PHE235, GLY237, TRP238 and 4 more
  • 5AD8 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · 9M9 A800 · binds MET336, PRO565, VAL567, ASN569, MET570, PHE584, TRP587, TYR588 and 4 more
  • 5ADM · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · 9M9 A800 · binds SER248, GLN249, ARG252, PRO336, VAL338, PHE355, TRP358, TYR359 and 3 more
  • 5G6M · Structure of bacillus subtilis nitric oxide synthase in complex with… · 9M9 A904 · binds HIS128, PRO216, ILE218, ASP220, MET221, PHE235, GLY237, TRP238 and 4 more

Residues it binds most

MET 10, TRP 10, TYR 10, GLU 10, PHE 10, PRO 10, VAL 8, ASN 4, GLN 4, SER 4 (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
  • GOL · Glycerol
  • CL · Chloride ion

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