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Ligand · 5U6

5U6 · 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one

5U6, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one (C20 H23 N3 O3, 353.4 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (5 PDB entries). Every binding site with its residues within…

Component
5U6
Formula
C20 H23 N3 O3
Class
ligand
Structures
7
PDB entries
5

Binding sites

5U6 in 7 structures; the first of them:

  • 5F1H · Crystal structure of the BRD9 bromodamian in complex with BI-9564. · 5U6 A201 · binds HIS42, GLY43, PHE44, PHE45, PHE47, PRO48, VAL49, ILE53 and 4 more
  • 5MQ1 · Crystal structure of the BRD7 bromodomain in complex with BI-9564 · 5U6 A700 · binds SER153, ALA154, PHE155, PHE156, PHE158, PRO159, VAL160, ILE164 and 6 more
  • 6TN8 · Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564 · 5U6 A505 · binds VAL222, ALA233, LYS235, PHE237, GLU248, LEU263, LEU281, THR283 and 9 more
  • 5MQ1 · Crystal structure of the BRD7 bromodomain in complex with bi-9564 · 5U6 A700 · binds SER153, ALA154, PHE155, PHE156, PHE158, PRO159, VAL160, ILE164 and 3 more
  • 6TN8 · Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound bi-9564 · 5U6 A505 · binds VAL222, ALA233, LYS235, PHE237, GLU248, LEU263, LEU281, THR283 and 9 more
  • 6V1F · Crystal structure of the bromodomain of human BRD7 bound to BI9564 · 5U6 A301 · binds ALA154, PHE155, PHE156, PHE158, PRO159, VAL160, ILE164, ALA165 and 2 more
  • 6V1L · Crystal structure of the first bromodomain (BD1) of human BRD4 bound to BI9564 · 5U6 A201 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, ASN140 and 1 more

Residues it binds most

PHE 8, ALA 7, TYR 7, ASN 8, LEU 3, VAL 8, HIS 4, ILE 6, PRO 6, GLY 4 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • MG · Magnesium ion
  • ZN · Zinc ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • DIO · 1,4-diethylene dioxide

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