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Ligand · KMJ

KMJ · 6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine

KMJ, 6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine (C19 H25 F2 N3, 333.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within…

Component
KMJ
Formula
C19 H25 F2 N3
Class
ligand
Structures
3
PDB entries
2

Binding sites

KMJ in 3 structures; the first of them:

  • 6NGU · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · KMJ A803 · binds MET336, GLN478, PRO565, VAL567, MET570, PHE584, SER585, GLY586 and 6 more
  • 6NGB · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · KMJ A803 · binds GLN483, PRO570, VAL572, ASN574, PHE589, SER590, GLY591, TRP592 and 4 more
  • 6NGU · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · KMJ A803 · binds MET336, PRO565, VAL567, MET570, PHE584, SER585, GLY586, TRP587 and 3 more

Residues it binds most

MET 6, TYR 6, TRP 6, GLU 6, GLY 6, PHE 6, PRO 6, SER 5, VAL 6, GLN 5 (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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