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Ligand · MPX

MPX · 4-({[(4-methylpiperazin-1-yl)amino]carbonothioyl}amino)benzenesulfonamide

MPX, 4-({[(4-methylpiperazin-1-yl)amino]carbonothioyl}amino)benzenesulfonamide (C12 H19 N5 O2 S2, 329.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
MPX
Formula
C12 H19 N5 O2 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

MPX in 4 structures; the first of them:

  • 1ZH9 · carbonic anhydrase II in complex with N-4-Methyl-1-piperazinyl-N'-(p-sulfonamide)phenylthi… · MPX A500 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131, VAL143 and 6 more
  • 4ITO · Human CA II inhibition by novel sulfonamide · MPX A303 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131, VAL135 and 7 more
  • 1ZH9 · Carbonic anhydrase II in complex with N-4-methyl-1-piperazinyl-N'-(P… · MPX A500 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131, VAL143 and 6 more
  • 4ITO · Human ca II inhibition by novel sulfonamide · MPX A303 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131, VAL135 and 7 more

Residues it binds most

HIS 4, VAL 4, THR 4, GLN 4, GLU 4, LEU 4, PHE 4, PRO 4, SER 4, TRP 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • BE7 · (4-carboxyphenyl)(chloro)mercury
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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