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Ligand · E67

E67 · 7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine

E67, 7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine (C31 H47 N7 O2, 549.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
E67
Formula
C31 H47 N7 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

E67 in 4 structures; the first of them:

  • 3MO2 · human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E67 · E67 A1 · binds TYR1124, ASP1131, ALA1134, ASP1135, VAL1136, ARG1137, GLU1138, ASP1140 and 11 more
  • 3U78 · E67-2 selectively inhibits KIAA1718, a human histone H3 lysine 9 Jumonji demethylase · E67 A707 · binds ILE195, GLN200, ASP202, ILE226, TYR278, THR279, ASP280, HIS282 and 6 more
  • 3MO2 · Human G9A-like (glp, also known as EHMT1) in complex with inhibitor E67 · E67 A1 · binds TYR1124, ASP1131, ALA1134, ASP1135, VAL1136, ARG1137, GLU1138, ASP1140 and 11 more
  • 3U78 · E67-2 selectively inhibits KIAA1718, a human histone H3 lysine 9 jumonji demethylase · E67 A707 · binds ILE195, GLN200, ASP202, ILE226, TYR278, THR279, ASP280, HIS282 and 6 more

Residues it binds most

ASP 10, PHE 10, TYR 10, ARG 8, ILE 10, LYS 10, ALA 8, CYS 8, LEU 8, SER 8 (residue and the binding sites it lines).

Found with

  • AKG · 2-oxoglutaric acid
  • SAH · S-adenosyl-L-homocysteine
  • NI · Nickel (II) ion
  • ZN · Zinc ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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