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Ligand · 228

228 · N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl]-D-prolinamide

228, N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl]-D-prolinamide (C22 H24 N6 O3, 420.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
228
Formula
C22 H24 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

228 in 2 structures; the first of them:

  • 2ORO · Murine inducible nitric oxide synthase oxygenase domain (delta 114)… · 228 A601 · binds CYS194, GLN257, PRO344, ALA345, VAL346, PHE363, ASN364, GLY365 and 4 more
  • 2ORO · Murine inducible nitric oxide synthase oxygenase domain (delta 114)… · 228 A601 · binds CYS194, GLN257, PRO344, ALA345, VAL346, PHE363, ASN364, GLY365 and 4 more

Residues it binds most

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

Found with

  • HEM · Protoporphyrin IX containing Fe
  • SO3 · Sulfite ion

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