GL1X · GenesisL1 explorer

Ligand · Y5G

Y5G · {1-(ethylsulfonyl)-3-[4-(2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile

Y5G, {1-(ethylsulfonyl)-3-[4-(2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile (C28 H33 N9 O2 S, 559.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
Y5G
Formula
C28 H33 N9 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

Y5G in 2 structures; the first of them:

  • 7LL5 · High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to PN5-150. · Y5G A1202 · binds LEU855, GLY856, LYS857, GLY858, GLY861, SER862, VAL863, ALA880 and 13 more
  • 7LL5 · High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to PN5-150. · Y5G A1202 · binds LEU855, GLY856, LYS857, GLY858, GLY861, SER862, VAL863, ALA880 and 13 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol

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