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Ligand · OSD

OSD · 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine

OSD, 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine (C20 H23 N3 O, 321.4 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…

Component
OSD
Formula
C20 H23 N3 O
Class
ligand
Structures
6
PDB entries
3

Binding sites

OSD in 6 structures; the first of them:

  • 6PN2 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · OSD A803 · binds PRO565, VAL567, MET570, PHE584, SER585, GLY586, TRP587, TYR588 and 2 more
  • 6PNH · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · OSD A802 · binds MET341, PRO570, VAL572, ASN574, MET575, PHE589, SER590, GLY591 and 6 more
  • 6POZ · Structure of human endothelial nitric oxide synthase heme domain in complex with… · OSD A503 · binds VAL104, PHE105, PRO334, VAL336, PHE353, SER354, GLY355, TRP356 and 5 more
  • 6PN2 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · OSD A803 · binds PRO565, VAL567, MET570, PHE584, SER585, GLY586, TRP587, TYR588 and 2 more
  • 6PNH · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · OSD A802 · binds MET341, PRO570, VAL572, ASN574, PHE589, SER590, GLY591, TRP592 and 4 more
  • 6POZ · Structure of human endothelial nitric oxide synthase heme domain in complex with… · OSD A503 · binds VAL104, PHE105, PRO334, VAL336, PHE353, TRP356, TYR357, MET358 and 3 more

Residues it binds most

TRP 24, TYR 16, VAL 24, PHE 24, MET 18, SER 17, GLU 16, PRO 16, GLY 15, ARG 6 (residue and the binding sites it lines).

Found with

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

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