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Ligand · ZZ3

ZZ3 · 4-methyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine

ZZ3, 4-methyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine (C5 H8 N4 S, 156.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
ZZ3
Formula
C5 H8 N4 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

ZZ3 in 6 structures; the first of them:

  • 2WI2 · Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone · ZZ3 A1226 · binds ASN51, SER52, ALA55, ASP93, ILE96, GLY97, MET98, LEU107 and 2 more
  • 2WI3 · Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone · ZZ3 A1225 · binds LEU48, ASN51, SER52, ALA55, ASP93, MET98, LEU107, THR109 and 3 more
  • 2YEJ · HSP90 inhibitors and drugs from fragment and virtual screening · ZZ3 A1226 · binds ASN51, SER52, ALA55, ASP93, ILE96, GLY97, MET98, THR184
  • 2WI2 · Orally active 2-amino thienopyrimidine inhibitors of the HSP90 chaperone · ZZ3 A1226 · binds ASN51, SER52, ALA55, ASP93, ILE96, GLY97, MET98, LEU107 and 2 more
  • 2WI3 · Orally active 2-amino thienopyrimidine inhibitors of the HSP90 chaperone · ZZ3 A1225 · binds LEU48, ASN51, SER52, ALA55, ASP93, MET98, LEU107, THR109 and 3 more
  • 2YEJ · HSP90 inhibitors and drugs from fragment and virtual screening · ZZ3 A1226 · binds ASN51, SER52, ALA55, ASP93, ILE96, GLY97, MET98, THR184

Residues it binds most

THR 8, ALA 8, ASN 8, ASP 8, LEU 6, MET 8, SER 8, GLY 6, ILE 6, PHE 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • XQK · Methyl 5-isoxazol-5-yl-3-methyl-1H-pyrazole-4-carboxylate
  • DMS · Dimethyl sulfoxide

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