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Ligand · HLW

HLW · 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine

HLW, 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine (C18 H20 Cl N5, 341.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5…

Component
HLW
Formula
C18 H20 Cl N5
Class
ligand
Structures
4
PDB entries
2

Binding sites

HLW in 4 structures; the first of them:

  • 4D36 · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · HLW A800 · binds VAL106, LEU107, GLN249, PRO336, ALA337, VAL338, PHE355, SER356 and 6 more
  • 4V3Y · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · HLW A800 · binds MET336, LEU337, GLN478, PRO565, ALA566, VAL567, PHE584, GLY586 and 4 more
  • 4D36 · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · HLW A800 · binds VAL106, LEU107, GLN249, PRO336, ALA337, VAL338, PHE355, SER356 and 6 more
  • 4V3Y · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · HLW A800 · binds MET336, LEU337, GLN478, PRO565, ALA566, VAL567, PHE584, GLY586 and 4 more

Residues it binds most

TRP 8, TYR 8, VAL 8, ALA 8, GLN 8, GLU 8, GLY 8, LEU 8, PHE 8, PRO 8 (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
  • GOL · Glycerol

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