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Ligand · ZN1

ZN1 · 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl) amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl) carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7, 10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide

ZN1, 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl) amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)…

Component
ZN1
Formula
C64 H82 Cl F2 N15 O11 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

ZN1 in 4 structures; the first of them:

  • 7MR7 · Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-075 · ZN1 A302 · binds GLN78, PHE79, TRP81, PRO82, PHE83, VAL87, LYS91, LEU92 and 24 more
  • 8CZA · Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-IV-075 · ZN1 B201 · binds SER47, PHE48, TRP50, PRO51, PHE52, VAL56, LYS60, LEU61 and 22 more
  • 7MR7 · Crystal structure of the first bromodomain (BD1) of human BRD4 bound to gxh-II-075 · ZN1 A302 · binds GLN78, PHE79, TRP81, PRO82, PHE83, VAL87, LEU92, ASN93 and 19 more
  • 8CZA · Crystal structure of the first bromodomain (BD1) of human brdt bound to gxh-IV-075 · ZN1 B201 · binds PHE48, TRP50, PRO51, PHE52, VAL56, LEU61, GLN62, LEU63 and 16 more

Residues it binds most

LEU 8, PHE 8, ASN 8, ASP 8, GLN 8, PRO 8, VAL 8, ILE 8, TRP 8, TYR 7 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • EDO · 1,2-ethanediol

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