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Ligand · TKQ

TKQ · 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

TKQ, 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (C15 H16 I N3 O3 S, 445.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
TKQ
Formula
C15 H16 I N3 O3 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

TKQ in 2 structures; the first of them:

  • 7BG5 · 4-(2-(3-(4-iodophenyl)ureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase… · TKQ AAA303 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131, GLY132 and 9 more
  • 7OA1 · Crystal structure of alfa carbonic anhydrase from Schistosoma mansoni with… · TKQ AAA405 · binds GLU91, ILE114, GLN115, HIS117, HIS119, GLU129, HIS142, VAL144 and 6 more

Residues it binds most

HIS 3, VAL 3, THR 3, GLU 3, ILE 2, LEU 3, GLN 3, TRP 3, GLY 1, PHE 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • GOL · Glycerol
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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