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Ligand · ED8

ED8 · 5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide

ED8, 5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide (C26 H25 F3 N4 O3 S, 530.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
ED8
Formula
C26 H25 F3 N4 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

ED8 in 2 structures; the first of them:

  • 2XNO · Structure of Nek2 bound to CCT243779 · ED8 A1280 · binds ILE14, GLY15, CYS22, VAL35, LYS37, VAL68, MET86, GLU87 and 9 more
  • 2XNO · Structure of NEK2 bound to CCT243779 · ED8 A1280 · binds ILE14, GLY15, CYS22, VAL35, LYS37, VAL68, MET86, GLU87 and 9 more

Residues it binds most

GLY 2, ASP 2, CYS 2, VAL 2, ALA 2, GLU 2, ILE 2, LYS 2, MET 2, PHE 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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