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Ligand · A9U

A9U · 2-{4-[(1-benzylpiperidin-4-yl)methoxy]phenyl}-1H-benzimidazole-6-carboxamide

A9U, 2-{4-[(1-benzylpiperidin-4-yl)methoxy]phenyl}-1H-benzimidazole-6-carboxamide (C27 H28 N4 O2, 440.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
A9U
Formula
C27 H28 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

A9U in 2 structures; the first of them:

  • 4A9U · Crystal structure of human CHK2 in complex with benzimidazole carboxamide inhibitor · A9U A1516 · binds LEU226, VAL234, ALA247, LYS249, GLU273, ILE286, LEU301, LEU303 and 10 more
  • 4A9U · Crystal structure of human CHK2 in complex with benzimidazole carboxamide inhibitor · A9U A1516 · binds LEU226, VAL234, ALA247, LYS249, GLU273, ILE286, LEU301, LEU303 and 10 more

Residues it binds most

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

Found with

  • CL · Chloride ion
  • NO3 · Nitrate ion
  • EDO · 1,2-ethanediol

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