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Ligand · 59W

59W · 6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine

59W, 6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine (C20 H27 F N4 O, 358.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
59W
Formula
C20 H27 F N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

59W in 2 structures; the first of them:

  • 3NNZ · Structure of rat neuronal nitric oxide synthase heme domain complexed with… · 59W A800 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, GLY586 and 7 more
  • 3NNZ · Structure of rat neuronal nitric oxide synthase heme domain complexed with… · 59W A800 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, GLY586 and 7 more

Residues it binds most

TRP 4, MET 4, TYR 4, ARG 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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