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Ligand · 2HL

2HL · 1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide

2HL, 1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide (C26 H25 N5 O2, 439.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
2HL
Formula
C26 H25 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

2HL in 2 structures; the first of them:

  • 4N9E · Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human… · 2HL A601 · binds TYR188, LYS189, HIS191, PHE193, ARG196, ASP219, SER241, VAL242 and 15 more
  • 4N9E · Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human… · 2HL A601 · binds TYR188, LYS189, HIS191, PHE193, ARG196, ASP219, SER241, VAL242 and 15 more

Residues it binds most

ALA 4, ARG 4, ILE 4, ASP 4, SER 4, TYR 4, VAL 4, ASN 4, GLU 4, HIS 4 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • DTT · 2,3-dihydroxy-1,4-dithiobutane
  • EDO · 1,2-ethanediol

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