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Ligand · XR4

XR4 · N,N'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide)

XR4, N,N'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide) (C68 H88 Cl2 F2 N14 O13 S2, 1482.5…

Component
XR4
Formula
C68 H88 Cl2 F2 N14 O13 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XR4 in 2 structures; the first of them:

  • 7L9M · Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with bivalent… · XR4 A204 · binds GLN78, PHE79, TRP81, PRO82, PHE83, VAL87, LYS91, LEU92 and 24 more
  • 7L9M · Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with bivalent… · XR4 A204 · binds GLN78, PHE79, TRP81, PRO82, PHE83, VAL87, LYS91, LEU92 and 24 more

Residues it binds most

LEU 2, ASN 2, PHE 2, PRO 2, TYR 2, VAL 2, ASP 2, CYS 2, GLN 2, ILE 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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