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Ligand · J2I

J2I · 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone

J2I, 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone (C23 H24 F2 N8 O2, 482.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
J2I
Formula
C23 H24 F2 N8 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

J2I in 2 structures; the first of them:

  • 3Q32 · Structure of Janus kinase 2 with a pyrrolotriazine inhibitor · J2I A1 · binds LEU855, GLY856, LYS857, GLY858, GLY861, SER862, VAL863, ALA880 and 16 more
  • 3Q32 · Structure of janus kinase 2 with a pyrrolotriazine inhibitor · J2I A1 · binds LEU855, GLY856, LYS857, GLY858, GLY861, SER862, VAL863, ALA880 and 16 more

Residues it binds most

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

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