GL1X · GenesisL1 explorer

Ligand · BQE

BQE · (~{N}~{Z},2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{H}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide

BQE, (~{N}~{Z},2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{H}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide (C23 H30 F2 N6 O2 S, 492.6 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
BQE
Formula
C23 H30 F2 N6 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

BQE in 2 structures; the first of them:

  • 6EPR · The ATAD2 bromodomain in complex with compound UZH-DS15 · BQE A1201 · binds VAL1008, LYS1011, PRO1012, VAL1013, ASP1014, GLU1017, VAL1018, TYR1021 and 9 more
  • 6EPR · The ATAD2 bromodomain in complex with compound uzh-DS15 · BQE A1201 · binds VAL1008, LYS1011, PRO1012, VAL1013, ASP1014, GLU1017, VAL1018, TYR1021 and 9 more

Residues it binds most

ASP 2, VAL 2, TYR 2, ALA 2, ARG 2, ASN 2, GLU 2, GLY 2, ILE 2, LEU 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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