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Ligand · 333

333 · 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-1-yl)phenoxy]pyrimidine

333, 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-1-yl)phenoxy]pyrimidine (C20 H14 N4 O4, 374.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
333
Formula
C20 H14 N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

333 in 2 structures; the first of them:

  • 2ORR · Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114)… · 333 A601 · binds CYS194, GLN257, ARG260, TYR341, PRO344, ALA345, VAL346, PHE363 and 5 more
  • 2ORR · Murine inducible nitric oxide synthase oxygenase domain (delta 114)… · 333 A601 · binds CYS194, GLN257, ARG260, TYR341, PRO344, ALA345, VAL346, PHE363 and 5 more

Residues it binds most

TYR 2, ALA 2, ARG 2, ASN 2, CYS 2, GLN 2, GLY 2, MET 2, PHE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • EDO · 1,2-ethanediol

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