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Ligand · QWN

QWN · 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine

QWN, 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine (C5 H2 Br Cl N4, 233.4 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 residues it…

Component
QWN
Formula
C5 H2 Br Cl N4
Class
ligand
Structures
4
PDB entries
2

Binding sites

QWN in 4 structures; the first of them:

  • 7A1Z · Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex… · QWN A401 · binds LEU46, VAL54, VAL67, LYS69, ILE96, PHE114, GLU115, MET164 and 2 more
  • 7A49 · Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with… · QWN A401 · binds VAL53, VAL66, LYS68, GLU81, ILE95, PHE113, GLU114, VAL116 and 3 more
  • 7A1Z · Crystal structure of human protein kinase CK2ALPHA' (CSNK2A2 gene product) in complex… · QWN A401 · binds VAL54, VAL67, LYS69, ILE96, PHE114, GLU115, MET164, ILE175 and 1 more
  • 7A49 · Crystal structure of human protein kinase CK2ALPHA (CSNK2A1 gene product) in complex with… · QWN A401 · binds VAL53, VAL66, LYS68, ILE95, PHE113, VAL116, ILE174, ASP175

Residues it binds most

VAL 6, ILE 6, ASP 6, GLU 4, LYS 6, PHE 6, MET 4, ARG 1, LEU 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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