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Ligand · GTJ

GTJ · ~{N}-(1-propylbenzimidazol-2-yl)propanamide

GTJ, ~{N}-(1-propylbenzimidazol-2-yl)propanamide (C13 H17 N3 O, 231.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
GTJ
Formula
C13 H17 N3 O
Class
ligand
Structures
2
PDB entries
2

Binding sites

GTJ in 2 structures; the first of them:

  • 7HLM · PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z29077827 · GTJ B201 · binds ASN25, TRP27, MET39, SER54, ASN55, TYR56, PHE177, TYR179
  • 5QI0 · Pandda analysis group deposition of models with modelled events (E.G. bound ligands)… · GTJ A1404 · binds GLY1257, VAL1258, PHE1371, LEU1372

Residues it binds most

ASN 1, PHE 2, TYR 1, GLY 1, LEU 1, MET 1, SER 1, TRP 1, VAL 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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