GL1X · GenesisL1 explorer

Ligand · R6V

R6V · (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl) phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

R6V, (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl) phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile (C28 H32 N8, 480.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
R6V
Formula
C28 H32 N8
Class
ligand
Structures
4
PDB entries
2

Binding sites

R6V in 4 structures; the first of them:

  • 6VNC · JAK2 JH1 in complex with BL2-096 · R6V B1201 · binds GLN853, LEU855, GLY856, LYS857, GLY858, GLY861, SER862, VAL863 and 16 more
  • 6VS3 · JAK2 JH1 in complex with BL2-057 · R6V A1201 · binds LEU855, GLY856, LYS857, GLY858, GLY861, SER862, VAL863, ALA880 and 15 more
  • 6VNC · JAK2 JH1 in complex with BL2-096 · R6V B1201 · binds GLN853, LEU855, GLY856, GLY858, VAL863, ALA880, VAL911, MET929 and 11 more
  • 6VS3 · JAK2 JH1 in complex with BL2-057 · R6V A1201 · binds LEU855, GLY856, LYS857, GLY858, VAL863, ALA880, LYS882, VAL911 and 11 more

Residues it binds most

GLY 8, LEU 8, VAL 8, TYR 8, LYS 6, ALA 8, ARG 8, ASN 8, ASP 8, GLU 8 (residue and the binding sites it lines).

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