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Ligand · 0NU

0NU · 3-[(3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl]-3-oxopropanenitrile

0NU, 3-[(3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl]-3-oxopropanenitrile (C16 H16 N6 O, 308.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
0NU
Formula
C16 H16 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

0NU in 2 structures; the first of them:

  • 4E6D · JAK2 kinase (JH1 domain) triple mutant in complex with compound 7 · 0NU A1201 · binds LEU855, GLY856, LYS857, GLY858, GLY861, SER862, VAL863, ALA880 and 13 more
  • 4E6D · JAK2 kinase (JH1 domain) triple mutant in complex with compound 7 · 0NU A1201 · binds LEU855, GLY856, LYS857, GLY858, GLY861, SER862, VAL863, ALA880 and 13 more

Residues it binds most

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

Found with

  • GOL · Glycerol

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