GL1X · GenesisL1 explorer

Ligand · XZB

XZB · N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2-carboximidamide

XZB, N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2-carboximidamide (C21 H20 F3 N3 O3 S2, 483.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
XZB
Formula
C21 H20 F3 N3 O3 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XZB in 2 structures; the first of them:

  • 4UIV · BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4… · XZB A1124 · binds PHE44, PHE45, VAL49, ILE53, ALA54, PRO55, TYR57, ALA96 and 5 more
  • 4UIV · Bromodomain of human BRD9 with N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4… · XZB A1124 · binds PHE44, PHE45, VAL49, ILE53, ALA54, PRO55, TYR57, ALA96 and 5 more

Residues it binds most

TYR 2, ALA 2, PHE 2, ARG 2, ASN 2, ILE 2, PRO 2, THR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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