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Ligand · XJH

XJH · 6-{[(3R,4R)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine

XJH, 6-{[(3R,4R)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine (C22 H23 N3 O2, 361.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
XJH
Formula
C22 H23 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XJH in 2 structures; the first of them:

  • 3N2R · Structure of neuronal nitric oxide synthase heme domain in complex with… · XJH A800 · binds MET336, GLN478, PRO565, VAL567, PHE584, GLY586, TRP587, TYR588 and 5 more
  • 3N2R · Structure of neuronal nitric oxide synthase heme domain in complex with… · XJH A800 · binds MET336, GLN478, PRO565, VAL567, PHE584, GLY586, TRP587, TYR588 and 5 more

Residues it binds most

TRP 4, MET 4, TYR 4, GLN 4, GLU 4, GLY 4, PHE 4, PRO 4, VAL 4, ASN 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

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