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Ligand · WGZ

WGZ · 5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide

WGZ, 5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide (C27 H27 F3 N4 O3 S, 544.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
WGZ
Formula
C27 H27 F3 N4 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

WGZ in 2 structures; the first of them:

  • 2XNM · Structure of NEK2 bound to CCT · WGZ A1280 · binds ILE14, GLY15, CYS22, VAL35, LYS37, VAL68, GLU87, TYR88 and 12 more
  • 2XNM · Structure of NEK2 bound to cct · WGZ A1280 · binds ILE14, GLY15, CYS22, VAL35, LYS37, VAL68, GLU87, TYR88 and 12 more

Residues it binds most

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

Found with

  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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