GL1X · GenesisL1 explorer

Ligand · W84

W84 · 5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole

W84, 5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole (C21 H28 N2 O3, 356.5 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
W84
Formula
C21 H28 N2 O3
Class
ligand
Structures
8
PDB entries
4

Binding sites

W84 in 8 structures; the first of them:

  • 1RUD · Rhinovirus 14 mutant N1105S complexed with antiviral compound win 52084 · W84 1290 · binds ILE104, SER105, LEU106, SER107, LEU116, VAL122, PHE124, SER126 and 16 more
  • 1RUH · Rhinovirus 14 mutant N1219S complexed with antiviral compound win 52084 · W84 1290 · binds ILE104, ASN105, LEU106, SER107, SER126, TYR128, ALA150, TYR152 and 13 more
  • 1RUI · Rhinovirus 14 mutant S1223G complexed with antiviral compound win 52084 · W84 1290 · binds ILE104, ASN105, LEU106, SER107, LEU116, VAL122, PHE124, SER126 and 16 more
  • 2RS1 · Structural analysis of antiviral agents that interact with the capsid of human… · W84 1900 · binds ILE104, ASN105, LEU106, SER107, LEU116, VAL122, PHE124, SER126 and 16 more
  • 1RUD · Rhinovirus 14 mutant N1105S complexed with antiviral compound win 52084 · W84 1290 · binds ILE104, SER105, LEU106, SER107, LEU116, VAL122, PHE124, SER126 and 16 more
  • 1RUH · Rhinovirus 14 mutant N1219S complexed with antiviral compound win 52084 · W84 1290 · binds ILE104, ASN105, LEU106, SER107, SER126, TYR128, ALA150, TYR152 and 13 more
  • 1RUI · Rhinovirus 14 mutant S1223G complexed with antiviral compound win 52084 · W84 1290 · binds ILE104, ASN105, LEU106, SER107, LEU116, VAL122, PHE124, SER126 and 16 more
  • 2RS1 · Structural analysis of antiviral agents that interact with the capsid of human… · W84 1900 · binds ILE104, ASN105, LEU106, SER107, LEU116, VAL122, PHE124, SER126 and 16 more

Residues it binds most

VAL 8, SER 8, TYR 8, ASN 8, ALA 8, MET 8, LEU 8, PHE 8, ILE 8, CYS 8 (residue and the binding sites it lines).

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