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Ligand · 1J6

1J6 · (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile

1J6, (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile (C18 H21 N5 O, 323.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
1J6
Formula
C18 H21 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

1J6 in 2 structures; the first of them:

  • 4IVC · JAK1 kinase (JH1 domain) in complex with the inhibitor… · 1J6 A1201 · binds LEU881, GLY882, GLU883, GLY884, GLY887, VAL889, ALA906, LYS908 and 13 more
  • 4IVC · JAK1 kinase (JH1 domain) in complex with the inhibitor (trans-4-{2… · 1J6 A1201 · binds LEU881, GLY882, GLU883, GLY884, GLY887, VAL889, ALA906, LYS908 and 13 more

Residues it binds most

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

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