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Ligand · W80

W80 · 4-methyl-6-[2-(5-{4-[(methylamino) methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine

W80, 4-methyl-6-[2-(5-{4-[(methylamino) methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine (C21 H24 N4, 332.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5…

Component
W80
Formula
C21 H24 N4
Class
ligand
Structures
3
PDB entries
2

Binding sites

W80 in 3 structures; the first of them:

  • 6AUW · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · W80 A803 · binds SER477, GLN478, ARG481, ALA497, PRO565, VAL567, PHE584, SER585 and 8 more
  • 6AUW · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · W80 A803 · binds GLN478, ARG481, PRO565, VAL567, PHE584, GLY586, TRP587, TYR588 and 3 more
  • 6AV4 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · W80 A803 · binds MET341, GLN483, ARG486, TYR567, PRO570, VAL572, PHE589, GLY591 and 3 more

Residues it binds most

ARG 6, TYR 6, TRP 6, GLN 6, GLU 6, GLY 6, PHE 6, PRO 6, VAL 6, MET 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
  • GOL · Glycerol

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