GL1X · GenesisL1 explorer

Ligand · A7G

A7G · 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole

A7G, 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole (C25 H25 F2 N5 O, 449.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
A7G
Formula
C25 H25 F2 N5 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

A7G in 4 structures; the first of them:

  • 7KP8 · asymmetric mTNF-alpha hTNFR1 complex · A7G C201 · binds LEU57, VAL122, ALA155, LEU156, LEU57, TYR59, TYR118, GLY120 and 10 more
  • 7KP9 · asymmetric hTNF-alpha · A7G C201 · binds LYS11, LEU57, VAL123, ILE155, ALA156, LEU157, LEU57, TYR59 and 14 more
  • 7KP8 · Asymmetric mtnf-alpha HTNFR1 complex · A7G C201 · binds LEU57, VAL122, ALA155, LEU156, LEU57, TYR59, TYR118, GLY120 and 10 more
  • 7KP9 · Asymmetric htnf-alpha · A7G C201 · binds LYS11, LEU57, VAL123, ILE155, ALA156, LEU157, LEU57, TYR59 and 12 more

Residues it binds most

LEU 4, TYR 4, GLY 4, ILE 4, ALA 4, VAL 4, LYS 2, SER 2 (residue and the binding sites it lines).

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