GL1X · GenesisL1 explorer

Ligand · 814

814 · [(3R,5S,6R,7R,11S,12Z,14E)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate

814, [(3R,5S,6R,7R,11S,12Z,14E)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate (C35 H44 N2 O9, 636.7 g/mol), in the MolNFT…

Component
814
Formula
C35 H44 N2 O9
Class
ligand
Structures
2
PDB entries
1

Binding sites

814 in 2 structures; the first of them:

  • 4ASG · The structure of modified benzoqui ansamycins bound to yeast N- terminal Hsp90 · 814 A1215 · binds SER36, ASN37, ALA38, ASP40, ALA41, LYS44, ASP79, ILE82 and 14 more
  • 4ASG · The structure of modified benzoquinone ansamycins bound to yeast N- terminal HSP90 · 814 A1215 · binds SER36, ASN37, ALA38, ASP40, ALA41, LYS44, ASP79, ILE82 and 14 more

Residues it binds most

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

Found with

  • NI · Nickel (II) ion

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