GL1X · GenesisL1 explorer

Ligand · 7JJ

7JJ · 5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one

7JJ, 5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one (C14 H8 Cl F N2 O2, 290.7 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
7JJ
Formula
C14 H8 Cl F N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

7JJ in 2 structures; the first of them:

  • 5P9R · humanized rat COMT in complex with 5-chloro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-o… · 7JJ A303 · binds TRP38, MET40, LYS46, ASP141, HIS142, TRP143, ASP169, ASN170 and 7 more
  • 5P9R · Humanized rat comt in complex with 5-chloro-6-(4-fluorophenyl)-8… · 7JJ A303 · binds TRP38, MET40, ASP141, HIS142, TRP143, ASP169, ASN170, VAL173 and 7 more

Residues it binds most

TRP 4, ASP 4, LEU 4, MET 4, ASN 4, GLU 4, HIS 4, PRO 4, VAL 4, LYS 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • NA · Sodium ion
  • CL · Chloride ion
  • SAH · S-adenosyl-L-homocysteine

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.