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Ligand · 3G9

3G9 · 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone

3G9, 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone (C19 H19 Cl N2 O2, 342.8 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
3G9
Formula
C19 H19 Cl N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3G9 in 2 structures; the first of them:

  • 4W1X · Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium… · 3G9 B501 · binds MET91, PHE92, GLY93, GLY316, PRO317, THR318, PRO24, TYR25 and 10 more
  • 4W1X · Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium… · 3G9 B501 · binds MET91, PHE92, GLY93, GLY316, PRO317, THR318, PRO24, TYR25 and 10 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
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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