Ligand · 7JM

7JM · 6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{H}-quinazolin-4-one

7JM, 6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{H}-quinazolin-4-one (C14 H11 N3 O2, 253.3 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 binds…

Component: 7JM
Formula: C14 H11 N3 O2
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

7JM in 1 structure; the first of them:

5P9V · Humanized rat comt in complex with 8-hydroxy-6-(2-methylpyridin-3-yl)- 3H-quinazolin-4-one · 7JM A306 · 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
MG · Magnesium ion
CL · Chloride ion
SO4 · Sulfate ion
CXS · 3-cyclohexyl-1-propylsulfonic acid

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