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Ligand · 42G

42G · 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

42G, 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (C21 H29 N3 O5 S, 435.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues…

Component
42G
Formula
C21 H29 N3 O5 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

42G in 3 structures; the first of them:

  • 5WLV · Carbonic Anhydrase II in complex with aryloxy-2-hydroxypropylammine sulfonamide · 42G A302 · binds GLN92, HIS94, HIS96, HIS119, VAL121, PHE131, VAL143, LEU198 and 3 more
  • 5WLU · Carbonic anhydrase IX-mimic in complex with aryloxy-2- hydroxypropylammine sulfonamide · 42G A302 · binds LEU91, GLN92, HIS94, HIS96, HIS119, VAL121, VAL131, GLY132 and 6 more
  • 5WLV · Carbonic anhydrase II in complex with aryloxy-2-hydroxypropylammine sulfonamide · 42G A302 · binds GLN92, HIS94, HIS96, HIS119, VAL121, PHE131, VAL143, LEU198 and 3 more

Residues it binds most

VAL 5, HIS 3, THR 3, ASP 2, LEU 3, PHE 4, GLN 3, GLY 3, TRP 3, ILE 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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