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Ligand · S8F

S8F · 3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine

S8F, 3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine (C17 H18 F N5, 311.4 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…

Component
S8F
Formula
C17 H18 F N5
Class
ligand
Structures
2
PDB entries
1

Binding sites

S8F in 2 structures; the first of them:

  • 4V3V · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · S8F A800 · binds MET336, LEU337, CYS415, GLN478, PRO565, ALA566, VAL567, PHE584 and 5 more
  • 4V3V · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · S8F A800 · binds MET336, LEU337, CYS415, GLN478, PRO565, ALA566, VAL567, PHE584 and 5 more

Residues it binds most

TRP 4, ALA 4, CYS 4, GLN 4, GLU 4, GLY 4, LEU 4, MET 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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