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Ligand · M94

M94 · 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine

M94, 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine (C19 H21 N3 O, 307.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
M94
Formula
C19 H21 N3 O
Class
ligand
Structures
2
PDB entries
2

Binding sites

M94 in 2 structures; the first of them:

  • 5AD5 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · M94 A800 · binds MET336, PRO565, VAL567, PHE584, TRP587, TYR588, MET589, GLU592 and 3 more
  • 5G6K · Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with… · M94 A904 · binds HIS128, PRO216, VAL218, ASP220, MET221, PHE235, GLY237, TRP238 and 5 more

Residues it binds most

TRP 3, TYR 3, MET 3, GLU 3, PHE 3, PRO 3, VAL 3, ARG 2, ASP 1, GLY 1 (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
  • GOL · Glycerol

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