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Ligand · 7JV

7JV · 6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one

7JV, 6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one (C16 H14 N2 O3, 282.3 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
7JV
Formula
C16 H14 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

7JV in 2 structures; the first of them:

  • 5PA3 · humanized COMT in complex with 8-hydroxy-6-[2-(methoxymethyl)phenyl]-3H-quinazolin-4-one · 7JV A302 · binds TRP38, MET40, LYS46, ASP141, HIS142, TRP143, ASP169, ASN170 and 4 more
  • 5PA3 · Humanized comt in complex with 8-hydroxy-6-[2-(METHOXYMETHYL)PHENYL]- 3H-quinazolin-4-one · 7JV A302 · 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
  • K · Potassium ion
  • MG · Magnesium ion
  • CL · Chloride ion
  • SAH · S-adenosyl-L-homocysteine

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