GL1X · GenesisL1 explorer

Ligand · 4LY

4LY · [3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl) azetidin-3-yl]acetonitrile

4LY, [3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl) azetidin-3-yl]acetonitrile (C28 H29 F2 N9 O2 S, 593.7 g/mol), in the MolNFT structures on…

Component
4LY
Formula
C28 H29 F2 N9 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

4LY in 2 structures; the first of them:

  • 7REE · High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to YM2-059 · 4LY A1201 · binds LEU855, GLY856, LYS857, GLY858, GLY861, SER862, VAL863, ALA880 and 14 more
  • 7REE · High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to YM2-059 · 4LY A1201 · binds LEU855, GLY856, LYS857, GLY858, GLY861, SER862, VAL863, ALA880 and 13 more

Residues it binds most

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

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