GL1X · GenesisL1 explorer

Ligand · 8TO

8TO · (4E,6E,8S,9R,10E,12R,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate

8TO, (4E,6E,8S,9R,10E,12R,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate (C33 H50 N4 O8, 630.8 g/mol), in…

Component
8TO
Formula
C33 H50 N4 O8
Class
ligand
Structures
2
PDB entries
1

Binding sites

8TO in 2 structures; the first of them:

  • 4ASB · The structure of modified benzoqui ansamycins bound to yeast N- terminal Hsp90 · 8TO A1215 · binds ASN37, ALA38, ASP40, ALA41, LYS44, ASP79, ILE82, MET84 and 11 more
  • 4ASB · The structure of modified benzoquinone ansamycins bound to yeast N- terminal HSP90 · 8TO A1215 · binds ASN37, ALA38, ASP40, ALA41, LYS44, ASP79, ILE82, MET84 and 11 more

Residues it binds most

ALA 2, ASN 2, ASP 2, GLY 2, LEU 2, LYS 2, GLU 2, ILE 2, MET 2, PHE 2 (residue and the binding sites it lines).

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