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Ligand · 41O

41O · 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one

41O, 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one (C20 H17 Cl N2 O2, 352.8 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 binds…

Component
41O
Formula
C20 H17 Cl N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

41O in 2 structures; the first of them:

  • 4XJO · Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium… · 41O A502 · binds PRO24, TYR25, TRP64, GLY156, TYR157, CYS168, ASP169, GLY172 and 9 more
  • 4XJO · Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium… · 41O A502 · binds PRO24, TYR25, TRP64, GLY156, TYR157, CYS168, ASP169, GLY172 and 9 more

Residues it binds most

GLY 4, PRO 4, TYR 4, PHE 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
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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