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Ligand · 2Q8

2Q8 · 4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-beta-carbolin-9-yl)benzamide

2Q8, 4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-beta-carbolin-9-yl)benzamide (C21 H25 N3 O2, 351.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
2Q8
Formula
C21 H25 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

2Q8 in 2 structures; the first of them:

  • 4O04 · Identification of novel HSP90/isoform selective inhibitors using structure-based drug… · 2Q8 A4000 · binds ASN51, SER52, ALA55, ASP93, MET98, ASP102, LEU103, LEU107 and 8 more
  • 4O04 · Identification of novel HSP90/ISOFORM selective inhibitors using structure-based drug… · 2Q8 A4000 · binds ASN51, SER52, ALA55, ASP93, MET98, ASP102, LEU103, LEU107 and 8 more

Residues it binds most

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

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