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Ligand · ML6

ML6 · 7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine

ML6, 7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine (C19 H20 F N3, 309.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
ML6
Formula
C19 H20 F N3
Class
ligand
Structures
4
PDB entries
2

Binding sites

ML6 in 4 structures; the first of them:

  • 4CAP · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · ML6 A800 · binds MET336, LEU337, ARG414, PRO565, VAL567, PHE584, TRP587, TYR588 and 5 more
  • 5G68 · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · ML6 A904 · binds HIS128, ARG132, ALA147, PRO216, ILE218, PHE235, TRP238, TYR239 and 5 more
  • 4CAP · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · ML6 A800 · binds MET336, LEU337, ARG414, PRO565, VAL567, PHE584, TRP587, TYR588 and 5 more
  • 5G68 · Structure of bacillus subtilis nitric oxide synthase in complex with… · ML6 A904 · binds HIS128, ARG132, ALA147, PRO216, ILE218, PHE235, TRP238, TYR239 and 5 more

Residues it binds most

TRP 6, TYR 6, ARG 8, MET 6, GLU 8, LEU 6, PHE 6, PRO 6, VAL 6, ILE 4 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • CL · Chloride ion
  • ACT · Acetate ion
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether
  • POL · N-propanol

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