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Ligand · 5JG

5JG · 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine

5JG, 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine (C20 H23 Cl F N5 O2, 419.9 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with…

Component
5JG
Formula
C20 H23 Cl F N5 O2
Class
ligand
Structures
3
PDB entries
3

Binding sites

5JG in 3 structures; the first of them:

  • 5E1E · Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution · 5JG A1202 · binds ARG879, LEU881, VAL889, ALA906, MET956, GLU957, PHE958, LEU959 and 7 more
  • 6ZCR · Syk kinase domain in complex with azabenzimidazole inhibitor 7 · 5JG A701 · binds LEU377, VAL385, ALA400, MET448, GLU449, MET450, ALA451, GLU452 and 7 more
  • 6ZCU · Syk in complex with 57262_SYKB-AZ13344324-2 · 5JG A701 · binds LEU377, VAL385, ALA400, MET448, GLU449, MET450, ALA451, GLU452 and 7 more

Residues it binds most

LEU 4, GLU 4, ALA 4, MET 4, ARG 4, GLY 4, ASN 4, PRO 4, VAL 4, ASP 2 (residue and the binding sites it lines).

Found with

  • PEG · Di(hydroxyethyl)ether

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