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Ligand · 3C9

3C9 · 1-{(3S)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea

3C9, 1-{(3S)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea (C16 H24 N6 O3 S, 380.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
3C9
Formula
C16 H24 N6 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3C9 in 2 structures; the first of them:

  • 4QT1 · JAK3 kinase domain in complex with 1-[(3S)-1-isobutylsulfonyl-3-piperidyl]-3-(5H-pyrrolo[2… · 3C9 A1201 · binds LEU828, GLY829, LYS830, GLY831, GLY834, VAL836, ALA853, VAL884 and 11 more
  • 4QT1 · JAK3 kinase domain in complex with 1-[(3S)-1-isobutylsulfonyl-3… · 3C9 A1201 · binds LEU828, GLY829, LYS830, GLY831, GLY834, VAL836, ALA853, VAL884 and 11 more

Residues it binds most

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

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