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Ligand · 0X5

0X5 · 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide

0X5, 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide (C16 H13 Cl2 N3 O2, 350.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
0X5
Formula
C16 H13 Cl2 N3 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

0X5 in 4 structures; the first of them:

  • 4GIH · Tyk2 (JH1) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZ… · 0X5 A1201 · binds ARG901, LEU903, GLY904, GLU905, GLY906, VAL911, ALA928, ILE960 and 12 more
  • 4GMY · JAK2 kinase (JH1 domain) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYR… · 0X5 A1201 · binds LEU855, GLY856, VAL863, ALA880, MET929, GLU930, TYR931, LEU932 and 8 more
  • 4GIH · TYK2 (JH1) in complex with 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)… · 0X5 A1201 · binds ARG901, LEU903, GLY904, GLU905, GLY906, VAL911, ALA928, ILE960 and 12 more
  • 4GMY · JAK2 kinase (JH1 domain) in complex with 2,6-dichloro-N-{2… · 0X5 A1201 · binds LEU855, GLY856, VAL863, ALA880, MET929, GLU930, TYR931, LEU932 and 8 more

Residues it binds most

GLY 4, LEU 4, ARG 4, GLU 4, TYR 4, VAL 4, ALA 4, ASN 4, ASP 4, MET 4 (residue and the binding sites it lines).

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