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 1 record (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: 1
PDB entries: 1

Binding sites

7JV in 1 structure; 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, ASP141, HIS142, TRP143, ASP169, ASN170, VAL173 and 4 more

Residues it binds most

ASP 1, TRP 1, ASN 1, GLU 1, HIS 1, LEU 1, MET 1, PRO 1, SAH 1, VAL 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

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