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Ligand · M4R

M4R · 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile

M4R, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile (C22 H24 N4 O, 360.4 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (5 PDB entries). Every binding site with its residues within…

Component
M4R
Formula
C22 H24 N4 O
Class
ligand
Structures
7
PDB entries
5

Binding sites

M4R in 7 structures; the first of them:

  • 5UNZ · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · M4R A803 · binds PRO565, VAL567, ASN569, MET570, PHE584, SER585, GLY586, TRP587 and 6 more
  • 5UO6 · Structure of human neuronal nitric oxide synthase heme domain in complex with… · M4R A803 · binds PRO570, VAL572, ASN574, PHE589, GLY591, TRP592, TYR593, GLU597 and 2 more
  • 5UNY · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · M4R A803 · binds PRO565, VAL567, ASN569, PHE584, SER585, GLY586, TRP587, TYR588 and 3 more
  • 5UNZ · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · M4R A803 · binds PRO565, VAL567, ASN569, MET570, PHE584, SER585, GLY586, TRP587 and 6 more
  • 5UO5 · Structure of human neuronal nitric oxide synthase heme domain in complex with… · M4R A803 · binds PRO570, VAL572, ASN574, MET575, PHE589, SER590, GLY591, TRP592 and 4 more
  • 5UO6 · Structure of human neuronal nitric oxide synthase heme domain in complex with… · M4R A803 · binds PRO570, VAL572, ASN574, PHE589, GLY591, TRP592, TYR593, GLU597 and 2 more
  • 5UOB · Structure of human endothelial nitric oxide synthase heme domain in complex with… · M4R A502 · binds VAL104, ARG183, ARG250, PRO334, VAL336, PHE353, TRP356, TYR357 and 6 more

Residues it binds most

TRP 20, TYR 16, VAL 20, PHE 20, PRO 18, GLU 16, GLY 15, ASN 14, MET 11, SER 12 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • H4B · 5,6,7,8-tetrahydrobiopterin
  • ACT · Acetate ion
  • GOL · Glycerol
  • 8FD · 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile
  • GD · Gadolinium atom
  • CL · Chloride ion
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol

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