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Ligand · OU1

OU1 · 7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine

OU1, 7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine (C21 H23 N3 O, 333.4 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, the…

Component
OU1
Formula
C21 H23 N3 O
Class
ligand
Structures
4
PDB entries
3

Binding sites

OU1 in 4 structures; the first of them:

  • 6PN4 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · OU1 A803 · binds MET336, LEU337, PRO565, VAL567, PHE584, SER585, GLY586, TRP587 and 5 more
  • 6PN4 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · OU1 A803 · binds MET336, LEU337, PRO565, VAL567, PHE584, SER585, GLY586, TRP587 and 4 more
  • 6PO7 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · OU1 A803 · binds MET341, GLN483, PRO570, VAL572, PHE589, SER590, GLY591, TRP592 and 4 more
  • 6PP1 · Structure of human endothelial nitric oxide synthase heme domain in complex with… · OU1 A503 · binds PHE105, PRO334, VAL336, PHE353, TRP356, TYR357, MET358, GLU361 and 1 more

Residues it binds most

TRP 10, TYR 10, PHE 10, MET 9, VAL 10, GLU 10, PRO 10, GLY 9, SER 6, LEU 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
  • GD · Gadolinium atom
  • CL · Chloride ion
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol

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