GL1X · GenesisL1 explorer

Ligand · 935

935 · (E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine

935, (E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine (C21 H25 F3 N4 O, 406.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
935
Formula
C21 H25 F3 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

935 in 2 structures; the first of them:

  • 3N3G · 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not… · 935 A220 · binds GLN19, GLY23, ALA24, CYS25, TRP26, ASN67, GLY68, GLY69 and 9 more
  • 3N3G · 4-(3-trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not… · 935 A220 · binds GLN19, GLY23, ALA24, CYS25, TRP26, ASN67, GLY68, GLY69 and 9 more

Residues it binds most

GLY 4, PHE 4, ASN 4, CYS 4, GLN 4, HIS 4, MET 4, TRP 4, VAL 4, ALA 2 (residue and the binding sites it lines).

Found with

  • 93N · 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.