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Ligand · 43U

43U · 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine

43U, 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine (C12 H10 Br N5 O, 320.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
43U
Formula
C12 H10 Br N5 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

43U in 4 structures; the first of them:

  • 4XY8 · Crystal Structure of the bromodomain of BRD9 in complex with a 2-amine-9H-purine ligand · 43U A201 · binds PHE44, PHE45, PHE47, PRO48, VAL49, ILE53, ALA54, ALA96 and 3 more
  • 4XY9 · Crystal Structure of the first bromodomain of human BRD4 in complex with a… · 43U A202 · binds TRP81, PRO82, PHE83, GLN85, PRO86, VAL87, LEU92, LEU94 and 4 more
  • 4XY8 · Crystal structure of the bromodomain of BRD9 in complex with a 2- amine-9H-purine ligand · 43U A201 · binds PHE44, PHE45, PHE47, PRO48, VAL49, ILE53, ALA54, ALA96 and 3 more
  • 4XY9 · Crystal structure of the first bromodomain of human BRD4 in complex with a… · 43U A202 · binds TRP81, PRO82, PHE83, GLN85, PRO86, VAL87, LEU92, LEU94 and 4 more

Residues it binds most

PHE 4, PRO 4, TYR 4, ALA 2, ASN 4, ILE 4, LEU 2, VAL 4, CYS 2, GLN 2 (residue and the binding sites it lines).

Found with

  • BR · Bromide ion
  • EDO · 1,2-ethanediol

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