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Ligand · W64

W64 · 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine

W64, 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine (C18 H25 N5, 311.4 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…

Component
W64
Formula
C18 H25 N5
Class
ligand
Structures
2
PDB entries
2

Binding sites

W64 in 2 structures; the first of them:

  • 5FVQ · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · W64 A800 · binds GLN478, ARG481, TYR562, PRO565, VAL567, PHE584, SER585, GLY586 and 5 more
  • 5FVU · Structure of human nNOS R354A G357D mutant heme domain in complex with… · W64 A800 · binds GLN483, ARG486, TYR567, PRO570, VAL572, PHE589, SER590, GLY591 and 5 more

Residues it binds most

ARG 4, TYR 4, GLN 4, GLU 4, GLY 4, PHE 4, PRO 4, TRP 4, VAL 4, MET 3 (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
  • EDO · 1,2-ethanediol

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