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Ligand · 4HZ

4HZ · N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide

4HZ, N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide (C16 H13 Cl F4 N6 O, 416.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
4HZ
Formula
C16 H13 Cl F4 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

4HZ in 2 structures; the first of them:

  • 4YTF · Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor… · 4HZ A4000 · binds LEU855, GLY856, LYS857, GLY858, VAL863, ALA880, VAL911, MET929 and 12 more
  • 4YTF · Discovery of vx-509 (decernotinib): a potent and selective janus kinase (JAK) 3 inhibitor… · 4HZ A4000 · binds LEU855, GLY856, LYS857, GLY858, VAL863, ALA880, VAL911, MET929 and 12 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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