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Ligand · DAW

DAW · N-[(S)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1H-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide

DAW, N-[(S)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1H-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide (C21 H24 N6 O4 S2, 488.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
DAW
Formula
C21 H24 N6 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

DAW in 2 structures; the first of them:

  • 3KNE · Carbonic Anhydrase II H64C mutant in complex with an in situ formed triazole · DAW A502 · binds TYR7, ASN62, CYS64, ALA65, ASN67, GLN92, HIS94, HIS96 and 14 more
  • 3KNE · Carbonic anhydrase II H64C mutant in complex with an in situ formed triazole · DAW A502 · binds TYR7, ASN62, CYS64, ALA65, ASN67, GLN92, HIS94, HIS96 and 14 more

Residues it binds most

ASN 2, HIS 2, VAL 2, LEU 2, THR 2, ALA 2, CYS 2, GLN 2, GLU 2, PHE 2 (residue and the binding sites it lines).

Found with

  • BE7 · (4-carboxyphenyl)(chloro)mercury
  • ZN · Zinc ion

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