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Ligand · EF3

EF3 · (E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine

EF3, (E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine (C23 H27 F3 N6 O, 460.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
EF3
Formula
C23 H27 F3 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

EF3 in 2 structures; the first of them:

  • 3N4C · 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors · EF3 A218 · binds GLN19, GLY23, ALA24, CYS25, TRP26, CYS66, ASN67, GLY68 and 12 more
  • 3N4C · 6-phenyl-1H-IMIDAZO[4,5-C]PYRIDINE-4-carbonitrile as cathepsin S inhibitors · EF3 A218 · binds GLN19, GLY23, ALA24, CYS25, TRP26, CYS66, ASN67, GLY68 and 12 more

Residues it binds most

GLY 4, PHE 4, ASN 4, CYS 4, VAL 4, ALA 4, GLN 4, HIS 4, MET 4, TRP 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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