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Ligand · 41N

41N · 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone

41N, 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone (C20 H20 N2 O4, 352.4 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
41N
Formula
C20 H20 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

41N in 2 structures; the first of them:

  • 4XJP · Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium… · 41N A502 · binds PRO24, TYR25, TRP64, GLY156, TYR157, CYS168, ASP169, GLY172 and 11 more
  • 4XJP · Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium… · 41N A502 · binds PRO24, TYR25, TRP64, GLY156, TYR157, CYS168, ASP169, GLY172 and 11 more

Residues it binds most

GLY 4, PHE 4, PRO 4, TYR 4, ALA 4, ASP 4, CYS 4, MET 4, THR 4, TRP 4 (residue and the binding sites it lines).

Found with

  • PLP · Pyridoxal-5'-phosphate
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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