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Ligand · E2I

E2I · 4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide

E2I, 4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide (C16 H19 N3 O3 S2, 365.5 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
E2I
Formula
C16 H19 N3 O3 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

E2I in 2 structures; the first of them:

  • 3SAP · Crystal structure of human carbonic anhydrase isozyme II with… · E2I A266 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131, VAL135 and 10 more
  • 3SAP · Crystal structure of human carbonic anhydrase isozyme II with 4-{[(5… · E2I A266 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131, VAL135 and 10 more

Residues it binds most

HIS 2, VAL 2, GLN 2, LEU 2, PRO 2, THR 2, GLU 2, PHE 2, SER 2, TRP 2 (residue and the binding sites it lines).

Found with

  • BCN · Bicine
  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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