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Ligand · BQQ

BQQ · (2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide

BQQ, (2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide (C15 H18 N6 O2 S, 346.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
BQQ
Formula
C15 H18 N6 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

BQQ in 2 structures; the first of them:

  • 6EPT · The ATAD2 bromodomain in complex with compound 12 · BQQ A1203 · binds LEU1061, ARG1072, ARG1075, HIS1076, CYS1079, ALA1080
  • 6EPT · The ATAD2 bromodomain in complex with compound 12 · BQQ A1203 · binds LEU1061, ARG1072, ARG1075, HIS1076, CYS1079, ALA1080

Residues it binds most

ARG 2, ALA 2, CYS 2, HIS 2, LEU 2 (residue and the binding sites it lines).

Found with

  • G1E · (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide
  • SO4 · Sulfate ion

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