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Ligand · VJK

VJK · (2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide

VJK, (2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide (C18 H19 F3 N6 O, 392.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
VJK
Formula
C18 H19 F3 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

VJK in 2 structures; the first of them:

  • 4YTI · Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor… · VJK A4000 · binds LEU855, GLY856, LYS857, VAL863, ALA880, VAL911, MET929, GLU930 and 11 more
  • 4YTI · Discovery of vx-509 (decernotinib): a potent and selective janus kinase (JAK) 3 inhibitor… · VJK A4000 · binds LEU855, GLY856, LYS857, VAL863, ALA880, VAL911, MET929, GLU930 and 11 more

Residues it binds most

GLY 2, LEU 2, ASP 2, VAL 2, ALA 2, ARG 2, ASN 2, GLU 2, ILE 2, LYS 2 (residue and the binding sites it lines).

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