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Ligand · BI8

BI8 · 3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione

BI8, 3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione (C24 H22 N4 O2, 398.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…

Component
BI8
Formula
C24 H22 N4 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

BI8 in 4 structures; the first of them:

  • 1UVR · Structure of human PDK1 kinase domain in complex with BIM-8 · BI8 A1372 · binds LEU88, GLY89, VAL96, ALA109, LYS111, GLU130, VAL143, LEU159 and 10 more
  • 2VD5 · Structure of Human Myotonic Dystrophy Protein Kinase in Complex with the Bisindoylmaleide… · BI8 A1417 · binds ILE77, GLY78, VAL85, ALA98, LYS100, GLU119, THR132, MET148 and 8 more
  • 1UVR · Structure of human PDK1 kinase domain in complex with bim-8 · BI8 A1372 · binds LEU88, GLY89, VAL96, ALA109, LYS111, GLU130, VAL143, LEU159 and 10 more
  • 2VD5 · Structure of human myotonic dystrophy protein kinase in complex with the bisindoylmaleide… · BI8 A1417 · binds ILE77, GLY78, VAL85, ALA98, LYS100, GLU119, THR132, MET148 and 8 more

Residues it binds most

GLU 6, ALA 6, ASP 6, LEU 6, TYR 6, GLY 6, VAL 6, ASN 6, LYS 6, THR 6 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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