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Ligand · RXT

RXT · (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

RXT, (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile (C17 H18 N6, 306.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (4 PDB entries). Every binding site with its residues within…

Component
RXT
Formula
C17 H18 N6
Class
ligand
Structures
6
PDB entries
4

Binding sites

RXT in 6 structures; the first of them:

  • 6VNK · JAK2 JH1 in complex with PN4-073 · RXT D1201 · binds LEU855, GLY856, LYS857, GLY858, VAL863, ALA880, VAL911, MET929 and 8 more
  • 7F3G · Crystal structure of DCLK1 kinase domain in complex with ruxolitinib · RXT A701 · binds ILE396, GLY397, ASP398, GLY399, ALA402, VAL404, ALA417, LYS419 and 10 more
  • 6VGL · JAK2 JH1 in complex with ruxolitinib · RXT D1201 · binds LEU855, GLY856, LYS857, GLY858, VAL863, ALA880, VAL911, MET929 and 8 more
  • 6VNK · JAK2 JH1 in complex with PN4-073 · RXT D1201 · binds LEU855, GLY856, LYS857, GLY858, VAL863, ALA880, VAL911, MET929 and 8 more
  • 6WTN · Human JAK2 JH1 domain in complex with ruxolitinib · RXT A1204 · binds LEU855, GLY856, LYS857, GLY858, GLY861, VAL863, ALA880, VAL911 and 9 more
  • 7F3G · Crystal structure of DCLK1 kinase domain in complex with ruxolitinib · RXT A701 · binds ILE396, GLY397, ASP398, ALA402, VAL404, ALA417, LYS419, VAL449 and 9 more

Residues it binds most

GLY 17, LEU 17, VAL 17, ASP 17, GLU 17, ALA 17, ASN 17, MET 17, LYS 15, ARG 13 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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