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Ligand · K9L

K9L · (1S,2S)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine

K9L, (1S,2S)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine (C19 H20 F N5, 337.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
K9L
Formula
C19 H20 F N5
Class
ligand
Structures
2
PDB entries
1

Binding sites

K9L in 2 structures; the first of them:

  • 4D2Z · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · K9L A800 · binds MET336, LEU337, GLN478, PRO565, ALA566, VAL567, PHE584, GLY586 and 4 more
  • 4D2Z · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · K9L A800 · binds MET336, LEU337, GLN478, PRO565, ALA566, VAL567, PHE584, GLY586 and 4 more

Residues it binds most

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