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Ligand · OUS

OUS · 7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine

OUS, 7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine (C23 H22 N4 O, 370.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues within 4.5 Å…

Component
OUS
Formula
C23 H22 N4 O
Class
ligand
Structures
4
PDB entries
3

Binding sites

OUS in 4 structures; the first of them:

  • 6PN6 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · OUS A803 · binds MET336, LEU337, PRO565, VAL567, PHE584, SER585, GLY586, TRP587 and 7 more
  • 6PN6 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · OUS A803 · binds MET336, LEU337, PRO565, VAL567, PHE584, TRP587, TYR588, GLU592 and 3 more
  • 6POA · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · OUS A803 · binds MET341, HIS342, PRO570, VAL572, ASN574, PHE589, GLY591, TRP592 and 5 more
  • 6PP4 · Structure of human endothelial nitric oxide synthase heme domain in complex with… · OUS A504 · binds VAL104, PRO334, VAL336, PHE353, GLY355, TRP356, TYR357, MET358 and 3 more

Residues it binds most

TRP 11, TYR 10, PHE 11, VAL 11, MET 11, GLU 11, PRO 10, GLY 8, LEU 4, ARG 2 (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
  • GD · Gadolinium atom
  • CL · Chloride ion
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
  • GOL · Glycerol

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