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Ligand · XG0

XG0 · 4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-4-yl]phthalazin-1(2H)-one

XG0, 4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-4-yl]phthalazin-1(2H)-one (C22 H24 Cl N3 O, 381.9 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
XG0
Formula
C22 H24 Cl N3 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

XG0 in 1 structure; the first of them:

  • 8F4U · Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with azelastine · XG0 A501 · binds TRP13, PHE24, ASP26, PHE27, SER32, ALA33, TRP36, ARG37 and 5 more

Residues it binds most

PHE 1, SER 1, TRP 1, ALA 1, ARG 1, ASP 1, LEU 1, MET 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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