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Ligand · S42

S42 · 6-[(2R)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}propyl]-4-methylpyridin-2-amine

S42, 6-[(2R)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}propyl]-4-methylpyridin-2-amine (C23 H29 N5, 375.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
S42
Formula
C23 H29 N5
Class
ligand
Structures
2
PDB entries
1

Binding sites

S42 in 2 structures; the first of them:

  • 4CTU · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · S42 A800 · binds MET336, LEU337, ARG414, GLN478, ARG481, PRO565, VAL567, PHE584 and 9 more
  • 4CTU · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · S42 A800 · binds MET336, LEU337, ARG414, GLN478, ARG481, PRO565, VAL567, PHE584 and 9 more

Residues it binds most

TRP 4, ARG 4, MET 4, TYR 4, GLN 4, GLU 4, GLY 4, LEU 4, PHE 4, PRO 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

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