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Ligand · FHX

FHX · 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile

FHX, 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile (C16 H18 N6 O, 310.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
FHX
Formula
C16 H18 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

FHX in 2 structures; the first of them:

  • 7C3N · Crystal structure of JAK3 in complex with Delgocitinib · FHX A9000 · binds LEU828, GLY829, LYS830, GLY831, GLY834, SER835, VAL836, ALA853 and 12 more
  • 7C3N · Crystal structure of JAK3 in complex with delgocitinib · FHX A9000 · binds LEU828, GLY829, LYS830, GLY831, GLY834, SER835, VAL836, ALA853 and 11 more

Residues it binds most

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

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