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Ligand · JR9

JR9 · N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine

JR9, N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine (C21 H18 Br N5 O2, 452.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
JR9
Formula
C21 H18 Br N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

JR9 in 2 structures; the first of them:

  • 4R3M · Crystal structure of Human Hsp90 with JR9 · JR9 A301 · binds ASN51, SER52, ALA55, ASP93, ILE96, GLY97, MET98, ASP102 and 9 more
  • 4R3M · Crystal structure of human HSP90 with JR9 · JR9 A301 · binds ASN51, SER52, ALA55, ASP93, ILE96, GLY97, MET98, ASP102 and 9 more

Residues it binds most

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

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