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Ligand · 1J5

1J5 · trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile

1J5, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile (C17 H19 N5 O, 309.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
1J5
Formula
C17 H19 N5 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

1J5 in 4 structures; the first of them:

  • 4IVA · JAK2 kinase (JH1 domain) in complex with the inhibitor… · 1J5 A1201 · binds LEU855, GLY856, LYS857, GLY858, VAL863, ALA880, VAL911, MET929 and 11 more
  • 4IVB · JAK1 kinase (JH1 domain) in complex with the inhibitor… · 1J5 A1201 · binds LEU881, GLY882, GLU883, GLY884, VAL889, ALA906, VAL938, MET956 and 11 more
  • 4IVA · JAK2 kinase (JH1 domain) in complex with the inhibitor trans-4-[(8AS)… · 1J5 A1201 · binds LEU855, GLY856, LYS857, GLY858, VAL863, ALA880, VAL911, MET929 and 11 more
  • 4IVB · JAK1 kinase (JH1 domain) in complex with the inhibitor trans-4-{2… · 1J5 A1201 · binds LEU881, GLY882, GLU883, GLY884, VAL889, ALA906, VAL938, MET956 and 11 more

Residues it binds most

GLY 6, LEU 6, GLU 6, VAL 6, ASP 6, ALA 6, ARG 6, ASN 6, MET 6, SER 6 (residue and the binding sites it lines).

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