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Ligand · 0NH

0NH · 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine

0NH, 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine (C15 H19 N5 O2 S, 333.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
0NH
Formula
C15 H19 N5 O2 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

0NH in 4 structures; the first of them:

  • 4E4L · JAK1 kinase (JH1 domain) in complex with compound 30 · 0NH A1201 · binds LEU881, GLY882, GLU883, GLY884, VAL889, ALA906, VAL938, MET956 and 10 more
  • 4E4M · JAK2 kinase (JH1 domain) in complex with compound 30 · 0NH A1201 · binds LEU855, GLY856, LYS857, GLY858, VAL863, ALA880, MET929, GLU930 and 9 more
  • 4E4L · JAK1 kinase (JH1 domain) in complex with compound 30 · 0NH A1201 · binds LEU881, GLY882, GLU883, GLY884, VAL889, ALA906, VAL938, MET956 and 10 more
  • 4E4M · JAK2 kinase (JH1 domain) in complex with compound 30 · 0NH A1201 · binds LEU855, GLY856, LYS857, GLY858, VAL863, ALA880, MET929, GLU930 and 9 more

Residues it binds most

GLY 16, LEU 16, GLU 16, VAL 16, ALA 16, ARG 16, ASN 16, ASP 16, MET 16, SER 16 (residue and the binding sites it lines).

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