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Ligand · BI4

BI4 · 3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione

BI4, 3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione (C27 H26 N4 O2, 438.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its…

Component
BI4
Formula
C27 H26 N4 O2
Class
ligand
Structures
6
PDB entries
3

Binding sites

BI4 in 6 structures; the first of them:

  • 1SZM · Dual binding mode of bisindolylmaleimide 2 to protein kinase a (PKA) · BI4 A351 · binds LEU49, GLY50, PHE54, VAL57, ALA70, LYS72, VAL104, MET120 and 9 more
  • 3ORZ · PDK1 mutant bound to allosteric disulfide fragment activator 2A2 · BI4 A360 · binds LEU88, GLY89, GLU90, GLY91, VAL96, ALA109, LYS111, GLU130 and 12 more
  • 3OTU · PDK1 mutant bound to allosteric disulfide fragment activator JS30 · BI4 A360 · binds LEU88, GLY89, VAL96, ALA109, LYS111, TYR126, GLU130, VAL143 and 11 more
  • 1SZM · Dual binding mode of bisindolylmaleimide 2 to protein kinase a (PKA) · BI4 A351 · binds LEU49, GLY50, PHE54, VAL57, ALA70, LYS72, VAL104, MET120 and 9 more
  • 3ORZ · PDK1 mutant bound to allosteric disulfide fragment activator 2A2 · BI4 A360 · binds LEU88, GLY89, GLU90, GLY91, VAL96, ALA109, LYS111, GLU130 and 12 more
  • 3OTU · PDK1 mutant bound to allosteric disulfide fragment activator JS30 · BI4 A360 · binds LEU88, GLY89, VAL96, ALA109, LYS111, TYR126, GLU130, VAL143 and 11 more

Residues it binds most

GLU 14, GLY 14, LEU 14, ALA 14, VAL 14, TYR 14, LYS 14, THR 14, ASN 12, ASP 12 (residue and the binding sites it lines).

Found with

  • 2A2 · 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol
  • J30 · 4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol
  • CL · Chloride ion
  • SO4 · Sulfate ion

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