GL1X · GenesisL1 explorer

Ligand · XR7

XR7 · N,N'-(oxybis{(ethane-2,1-diyl)oxyethane-2,1-diyloxy[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4,1-phenylene]})di(ethane-1-sulfonamide)

XR7, N,N'-(oxybis{(ethane-2,1-diyl)oxyethane-2,1-diyloxy[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4,1-phenylene]})di(ethane-1-sulfonamide) (C44 H50 N4 O11 S2, 875.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
XR7
Formula
C44 H50 N4 O11 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XR7 in 2 structures; the first of them:

  • 7LA9 · Crystal structure of the first bromodomain (BD1) of human BRD4 (BRD4-1) in complex with… · XR7 A201 · binds TRP81, PRO82, PHE83, GLN85, PRO86, VAL87, ASP88, LYS91 and 22 more
  • 7LA9 · Crystal structure of the first bromodomain (BD1) of human BRD4 (BRD4- 1) in complex with… · XR7 A201 · binds TRP81, PRO82, PHE83, GLN85, PRO86, VAL87, ASP88, LYS91 and 22 more

Residues it binds most

LEU 6, PRO 6, ASP 6, ASN 6, CYS 6, GLN 6, ILE 6, PHE 6, TRP 6, VAL 6 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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