GL1X · GenesisL1 explorer

Ligand · 06J

06J · (3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide

06J, (3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide (C26 H34 N4 O2, 434.6 g/mol), in the MolNFT structures on…

Component
06J
Formula
C26 H34 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

06J in 2 structures; the first of them:

  • 3R92 · Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that… · 06J A1 · binds ASN51, SER52, ASP54, ALA55, ASP93, ILE96, GLY97, MET98 and 11 more
  • 3R92 · Discovery of a macrocyclic O-aminobenzamide HSP90 inhibitor with heterocyclic tether that… · 06J A1 · binds ASN51, SER52, ASP54, ALA55, ASP93, ILE96, GLY97, MET98 and 11 more

Residues it binds most

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

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