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Ligand · UWP

UWP · [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile

UWP, [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (C20 H18 F3 N9, 441.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
UWP
Formula
C20 H18 F3 N9
Class
ligand
Structures
4
PDB entries
2

Binding sites

UWP in 4 structures; the first of them:

  • 6X8E · Crystal structure of JAK2 with Compound 11 · UWP A4000 · binds LEU855, GLY856, LYS857, GLY858, GLY861, SER862, VAL863, ALA880 and 13 more
  • 6X8F · Crystal structure of TYK2 with Compound 11 · UWP A4001 · binds LEU903, GLY904, GLU905, GLY906, GLY909, LYS910, VAL911, ALA928 and 13 more
  • 6X8E · Crystal structure of JAK2 with compound 11 · UWP A4000 · binds LEU855, GLY856, LYS857, GLY858, GLY861, SER862, VAL863, ALA880 and 11 more
  • 6X8F · Crystal structure of TYK2 with compound 11 · UWP A4001 · binds LEU903, GLY904, GLU905, GLY906, GLY909, LYS910, VAL911, ALA928 and 13 more

Residues it binds most

GLY 8, LEU 8, LYS 8, GLU 8, VAL 8, TYR 8, ALA 8, ARG 8, ASN 8, ASP 8 (residue and the binding sites it lines).

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