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Ligand · RXE

RXE · ~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide

RXE, ~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide (C23 H22 Br4 Cl2 N4 O2, 777.0 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every…

Component
RXE
Formula
C23 H22 Br4 Cl2 N4 O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

RXE in 3 structures; the first of them:

  • 7AT5 · Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with… · RXE A402 · binds LEU45, VAL53, VAL66, ILE95, PHE113, GLU114, VAL116, ASN118 and 15 more
  • 7AT5 · Structure of protein kinase CK2 catalytic subunit (CSNK2A1 gene product) in complex with… · RXE A402 · binds VAL53, VAL66, ILE95, PHE113, GLU114, VAL116, ASN118, PHE121 and 14 more
  • 7ATV · Structure of protein kinase CK2 catalytic subunit (CSNK2A2 gene product) in complex with… · RXE A402 · binds LEU46, VAL54, VAL67, ILE96, PHE114, GLU115, ILE117, ASN119 and 15 more

Residues it binds most

ILE 5, MET 5, VAL 5, PHE 5, TYR 5, LEU 5, ASN 5, GLU 5, HIS 5, PRO 5 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • 42J · 2-(3,4-dichlorophenyl)ethanamine
  • SO4 · Sulfate ion
  • CL · Chloride ion

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