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Ligand · 329

329 · (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine

329, (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine (C8 H10 N2 O S, 182.2 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 residues it…

Component
329
Formula
C8 H10 N2 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

329 in 2 structures; the first of them:

  • 3EBD · Structure of inhibited murine iNOS oxygenase domain · 329 A903 · binds GLN257, PRO344, ALA345, VAL346, PHE363, ASN364, GLY365, TRP366 and 2 more
  • 3EBD · Structure of inhibited murine inos oxygenase domain · 329 A903 · binds GLN257, PRO344, ALA345, VAL346, PHE363, ASN364, GLY365, TRP366 and 2 more

Residues it binds most

ALA 4, ASN 4, GLN 4, GLU 4, GLY 4, PHE 4, PRO 4, TRP 4, TYR 4, VAL 4 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion

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