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Ligand · BI1

BI1 · 3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione

BI1, 3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione (C25 H24 N4 O2, 412.5 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within…

Component
BI1
Formula
C25 H24 N4 O2
Class
ligand
Structures
10
PDB entries
5

Binding sites

BI1 in 10 structures; the first of them:

  • 1UU8 · Structure of human PDK1 kinase domain in complex with BIM-1 · BI1 A1368 · binds LEU88, GLY89, VAL96, ALA109, LYS111, GLU130, VAL143, LEU159 and 9 more
  • 1XWS · Crystal Structure of the human PIM1 kinase domain · BI1 A1001 · binds LEU44, GLY45, PHE49, VAL52, ALA65, LYS67, GLU89, ILE104 and 10 more
  • 1ZRZ · Crystal Structure of the Catalytic Domain of Atypical Protein Kinase C-iota · BI1 A1000 · binds ILE251, GLY252, VAL259, ALA272, LYS274, VAL307, ILE323, GLU324 and 8 more
  • 2BIK · Human Pim1 phosphorylated on Ser261 · BI1 B1306 · binds LEU44, GLY45, PHE49, VAL52, ALA65, LYS67, GLU89, ILE104 and 10 more
  • 2BIL · The human protein kinase Pim1 in complex with its consensus peptide Pimtide · BI1 B1307 · binds ARG6, LEU44, GLY45, PHE49, VAL52, ALA65, LYS67, GLU89 and 12 more
  • 1UU8 · Structure of human PDK1 kinase domain in complex with bim-1 · BI1 A1368 · binds LEU88, GLY89, VAL96, ALA109, LYS111, GLU130, VAL143, LEU159 and 9 more
  • 1XWS · Crystal structure of the human PIM1 kinase domain · BI1 A1001 · binds LEU44, GLY45, PHE49, VAL52, ALA65, LYS67, GLU89, ILE104 and 10 more
  • 1ZRZ · Crystal structure of the catalytic domain of atypical protein kinase C-iota · BI1 A1000 · binds ILE251, GLY252, VAL259, ALA272, LYS274, VAL307, ILE323, GLU324 and 8 more
  • 2BIK · Human PIM1 phosphorylated on SER261 · BI1 B1306 · binds LEU44, GLY45, PHE49, VAL52, ALA65, LYS67, GLU89, ILE104 and 10 more
  • 2BIL · The human protein kinase PIM1 in complex with its consensus peptide pimtide · BI1 B1307 · binds ARG6, LEU44, GLY45, PHE49, VAL52, ALA65, LYS67, GLU89 and 12 more

Residues it binds most

GLU 10, LEU 10, ASP 10, VAL 10, ILE 8, ALA 10, ASN 10, GLY 10, LYS 10, ARG 6 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • CL · Chloride ion
  • GOL · Glycerol

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