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Ligand · H71

H71 · 8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-[3-(isopropylamino)propyl]-9H-purin-6-amine

H71, 8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-[3-(isopropylamino)propyl]-9H-purin-6-amine (C18 H21 I N6 O2 S, 512.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within…

Component
H71
Formula
C18 H21 I N6 O2 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

H71 in 1 structure; the first of them:

  • 8SSV · Crystal structure of Grp94 N-terminal domain bound to the purine inhibitor PU-H71. · H71 A401 · binds ASN107, ALA108, ALA111, ASP149, VAL152, GLY153, MET154, GLU158 and 8 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • MG · Magnesium ion
  • ACT · Acetate ion
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol

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