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Ligand · WQQ

WQQ · 1-(3-chlorophenyl)-5-(3,5-dimethylisoxazol-4-yl)-6-methyl-N-[4-(methylsulfonyl)benzyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

WQQ, 1-(3-chlorophenyl)-5-(3,5-dimethylisoxazol-4-yl)-6-methyl-N-[4-(methylsulfonyl)benzyl]-2-oxo-1,2-dihydropyridine-3-carboxamide (C26 H24 Cl N3 O5 S, 526.0 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry).…

Component
WQQ
Formula
C26 H24 Cl N3 O5 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

WQQ in 1 structure; the first of them:

  • 5ABW · Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases · WQQ A1001 · binds HIS57, TYR94, ASN98, LEU99, ARG177, VAL190, CYS191, PHE192 and 8 more

Residues it binds most

ARG 1, CYS 1, PHE 1, SER 1, VAL 1, ALA 1, ASN 1, ASP 1, HIS 1, LEU 1 (residue and the binding sites it lines).

Found with

  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion

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