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Ligand · QJ1

QJ1 · methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate

QJ1, methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate (C11 H15 N O2 S2, 257.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
QJ1
Formula
C11 H15 N O2 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

QJ1 in 2 structures; the first of them:

  • 6UVJ · Cocrystal of BRD4(D1) with a methyl carbamate thiazepane inhibitor · QJ1 A205 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, CYS136 and 4 more
  • 6UVJ · Cocrystal of BRD4(D1) with a methyl carbamate thiazepane inhibitor · QJ1 A205 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR139, ASN140 and 1 more

Residues it binds most

LEU 2, TYR 2, ASN 2, ILE 2, PHE 2, PRO 2, TRP 2, VAL 2, CYS 1, MET 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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