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Ligand · HW4

HW4 · 6-{[(3S,4S)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine

HW4, 6-{[(3S,4S)-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
HW4
Formula
C22 H30 F N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

HW4 in 2 structures; the first of them:

  • 3UFO · Structure of rat nitric oxide synthase heme domain in complex with… · HW4 A800 · binds MET336, GLN478, PRO565, VAL567, ASN569, PHE584, SER585, GLY586 and 7 more
  • 3UFO · Structure of rat nitric oxide synthase heme domain in complex with 6… · HW4 A800 · binds MET336, GLN478, PRO565, VAL567, ASN569, PHE584, SER585, GLY586 and 7 more

Residues it binds most

TRP 4, MET 4, SER 4, TYR 4, ASN 4, GLN 4, GLU 4, GLY 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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