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Ligand · KL1

KL1 · 6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine

KL1, 6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine (C19 H25 F2 N3, 333.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within…

Component
KL1
Formula
C19 H25 F2 N3
Class
ligand
Structures
2
PDB entries
2

Binding sites

KL1 in 2 structures; the first of them:

  • 6NG8 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · KL1 A803 · binds MET341, GLN483, ARG486, TYR567, PRO570, VAL572, PHE589, SER590 and 5 more
  • 6NGS · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · KL1 A803 · binds MET336, PRO565, VAL567, MET570, PHE584, SER585, GLY586, TRP587 and 4 more

Residues it binds most

MET 4, TRP 4, TYR 4, GLU 4, GLY 4, PHE 4, PRO 4, SER 4, VAL 4, ARG 2 (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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