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Ligand · H4W

H4W · 6-{[(3R,4R)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine

H4W, 6-{[(3R,4R)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine (C22 H30 F N3 O, 371.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
H4W
Formula
C22 H30 F N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

H4W in 2 structures; the first of them:

  • 3UFP · Structure of rat nitric oxide synthase heme domain in complex with… · H4W A800 · binds MET336, LEU337, GLN478, PRO565, VAL567, PHE584, SER585, GLY586 and 6 more
  • 3UFP · Structure of rat nitric oxide synthase heme domain in complex with 6… · H4W A800 · binds MET336, LEU337, GLN478, PRO565, VAL567, PHE584, SER585, GLY586 and 6 more

Residues it binds most

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