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Ligand · E72

E72 · 7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine

E72, 7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine (C29 H52 N8 O2, 544.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
E72
Formula
C29 H52 N8 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

E72 in 2 structures; the first of them:

  • 3MO5 · Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E72 · E72 A1236 · binds TYR1124, ASP1131, ALA1134, ASP1135, VAL1136, ARG1137, GLU1138, ASP1140 and 12 more
  • 3MO5 · Human G9A-like (glp, also known as EHMT1) in complex with inhibitor E72 · E72 A1236 · binds TYR1124, ASP1131, ALA1134, ASP1135, VAL1136, ARG1137, GLU1138, ASP1140 and 12 more

Residues it binds most

ASP 8, PHE 8, TYR 8, ARG 8, ALA 8, CYS 8, ILE 8, LEU 8, LYS 8, SER 8 (residue and the binding sites it lines).

Found with

  • SAH · S-adenosyl-L-homocysteine
  • ZN · Zinc ion

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