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Ligand · M48

M48 · 7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine

M48, 7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine (C19 H20 F N3, 309.4 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
M48
Formula
C19 H20 F N3
Class
ligand
Structures
10
PDB entries
5

Binding sites

M48 in 10 structures; the first of them:

  • 4CDT · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · M48 A801 · binds MET336, LEU337, PRO565, VAL567, PHE584, TRP587, TYR588, MET589 and 4 more
  • 4CFT · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · M48 A801 · binds VAL106, LEU107, PRO336, VAL338, PHE355, TRP358, TYR359, MET360 and 4 more
  • 5G6A · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · M48 A904 · binds HIS128, GLN129, ARG132, ALA147, PRO216, ILE218, PHE235, GLY237 and 7 more
  • 5G6B · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with two molecules of… · M48 A904 · binds HIS128, ARG132, ALA147, PRO216, ILE218, PHE235, GLY237, TRP238 and 6 more
  • 5G6C · Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with… · M48 A904 · binds HIS128, ARG132, ALA147, PRO216, VAL218, PHE235, GLY237, TRP238 and 6 more
  • 4CDT · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · M48 A801 · binds MET336, LEU337, PRO565, VAL567, PHE584, TRP587, TYR588, MET589 and 4 more
  • 4CFT · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · M48 A801 · binds VAL106, LEU107, PRO336, VAL338, PHE355, TRP358, TYR359, MET360 and 4 more
  • 5G6A · Structure of bacillus subtilis nitric oxide synthase in complex with… · M48 A904 · binds HIS128, GLN129, ARG132, ALA147, PRO216, ILE218, PHE235, GLY237 and 7 more
  • 5G6B · Structure of bacillus subtilis nitric oxide synthase in complex with two molecules of… · M48 A904 · binds HIS128, ARG132, ALA147, PRO216, ILE218, PHE235, GLY237, TRP238 and 6 more
  • 5G6C · Structure of bacillus subtilis nitric oxide synthase I218V in complex with… · M48 A904 · binds HIS128, ARG132, ALA147, PRO216, VAL218, PHE235, GLY237, TRP238 and 6 more

Residues it binds most

TRP 16, TYR 14, MET 14, ARG 8, GLU 14, PHE 14, PRO 14, VAL 10, ALA 6, GLY 6 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • H4B · 5,6,7,8-tetrahydrobiopterin
  • GOL · Glycerol
  • CL · Chloride ion
  • ZN · Zinc ion
  • ACT · Acetate ion

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