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Ligand · G4J

G4J · [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone

G4J, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone (C18 H21 F2 N7 O, 389.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB…

Component
G4J
Formula
C18 H21 F2 N7 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

G4J in 3 structures; the first of them:

  • 6DBM · Tyk2 with compound 23 · G4J A4000 · binds LEU903, GLY904, GLU905, GLY906, GLY909, LYS910, VAL911, ALA928 and 14 more
  • 6DBM · TYK2 with compound 23 · G4J A4000 · binds LEU903, GLY904, GLU905, GLY906, GLY909, LYS910, VAL911, ALA928 and 14 more
  • 6DBN · JAK1 with compound 23 · G4J A4000 · binds LEU881, GLY882, GLU883, GLY884, GLY887, LYS888, VAL889, ALA906 and 11 more

Residues it binds most

GLY 3, GLU 3, LEU 3, LYS 3, ASP 3, VAL 3, ALA 3, ARG 3, PRO 3, ASN 2 (residue and the binding sites it lines).

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