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Ligand · 7JG

7JG · 5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one

7JG, 5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one (C20 H12 F2 N2 O2, 350.3 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
7JG
Formula
C20 H12 F2 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

7JG in 2 structures; the first of them:

  • 5P9P · humanized rat COMT in complex with 5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one · 7JG A306 · binds TRP38, MET40, LYS46, ASP141, HIS142, TRP143, ASP169, ASN170 and 4 more
  • 5P9P · Humanized rat comt in complex with 5,6-BIS(4-fluorophenyl)-8-hydroxy- 3H-quinazolin-4-one · 7JG A306 · binds TRP38, MET40, ASP141, HIS142, TRP143, ASP169, ASN170, VAL173 and 4 more

Residues it binds most

ASP 2, TRP 2, ASN 2, GLU 2, HIS 2, LEU 2, MET 2, PRO 2, VAL 2, LYS 1 (residue and the binding sites it lines).

Found with

  • D1D · (4S,5S)-1,2-dithiane-4,5-diol
  • MG · Magnesium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • NHE · 2-[N-cyclohexylamino]ethane sulfonic acid
  • SAH · S-adenosyl-L-homocysteine

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