GL1X · GenesisL1 explorer

Ligand · 819

819 · ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate

819, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate (C21 H24 N4 O4 S, 428.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with…

Component
819
Formula
C21 H24 N4 O4 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

819 in 3 structures; the first of them:

  • 3HHU · Human heat-shock protein 90 (HSP90) in complex with… · 819 A500 · binds LEU48, ASN51, SER52, ASP54, ALA55, LYS58, ASP93, ILE96 and 11 more
  • 7U4C · Borrelia burgdorferi HtpG N-terminal domain (1-228) in complex with BX-2819 · 819 A301 · binds LEU31, ASN34, ALA35, ASP37, ALA38, LYS41, ASP74, ILE77 and 8 more
  • 3HHU · Human heat-shock protein 90 (HSP90) in complex with {4-[3-(2,4… · 819 A500 · binds LEU48, ASN51, SER52, ASP54, ALA55, LYS58, ASP93, ILE96 and 11 more

Residues it binds most

GLY 6, ASP 6, LEU 6, VAL 6, ILE 6, ALA 6, ASN 6, THR 6, LYS 6, MET 6 (residue and the binding sites it lines).

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