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Ligand · E1E

E1E · 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide

E1E, 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide (C14 H14 Cl N3 O3 S2, 371.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5…

Component
E1E
Formula
C14 H14 Cl N3 O3 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

E1E in 4 structures; the first of them:

  • 4KNI · Crystal structure of human carbonic anhydrase isozyme II with… · E1E A305 · binds ILE91, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131 and 10 more
  • 4KNM · Crystal structure of human carbonic anhydrase isozyme XIII with… · E1E A302 · binds GLN94, HIS96, HIS98, GLU108, HIS121, VAL123, PHE133, VAL134 and 10 more
  • 4KNI · Crystal structure of human carbonic anhydrase isozyme II with 2… · E1E A305 · binds ILE91, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131 and 10 more
  • 4KNM · Crystal structure of human carbonic anhydrase isozyme xiii with 2… · E1E A302 · binds GLN94, HIS96, HIS98, GLU108, HIS121, VAL123, PHE133, VAL134 and 10 more

Residues it binds most

VAL 6, HIS 6, LEU 6, THR 6, GLU 6, PHE 6, PRO 4, SER 6, TRP 6, ALA 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • PGE · Triethylene glycol

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