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Ligand · 1JD

1JD · (2S)-2-{[1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide

1JD, (2S)-2-{[1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide (C22 H22 Cl N7 O3, 467.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
1JD
Formula
C22 H22 Cl N7 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

1JD in 2 structures; the first of them:

  • 4IXC · Crystal structure of Human Glucokinase in complex with a small molecule activator. · 1JD A503 · binds TYR61, VAL62, ARG63, SER64, THR65, PRO66, GLU67, GLY68 and 15 more
  • 4IXC · Crystal structure of human glucokinase in complex with a small molecule activator. · 1JD A503 · binds TYR61, VAL62, ARG63, SER64, THR65, PRO66, GLU67, GLY68 and 15 more

Residues it binds most

VAL 2, TYR 2, ILE 2, MET 2, SER 2, ALA 2, ARG 2, CYS 2, GLU 2, GLY 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • GLC · alpha-D-glucopyranose

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