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Ligand · 2GQ

2GQ · 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one

2GQ, 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one (C13 H14 N2 O, 214.3 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
2GQ
Formula
C13 H14 N2 O
Class
ligand
Structures
6
PDB entries
3

Binding sites

2GQ in 6 structures; the first of them:

  • 4N6G · Tailoring Small Molecules for an Allosteric Site on Procaspase-6 · 2GQ B401 · binds ASN125, TYR198, LEU200, ASN125, TYR198, LEU200
  • 4N7J · Tailoring Small Molecules for an Allosteric Site on Procaspase-6 · 2GQ B401 · binds TYR198, THR199, LEU200, PRO201, TYR198, THR199, LEU200
  • 4N7M · Tailoring Small Molecules for an Allosteric Site on Procaspase-6 · 2GQ A401 · binds TYR198, THR199, LEU200, PRO201, TYR198, THR199, LEU200
  • 4N6G · Tailoring small molecules for an allosteric site on procaspase-6 · 2GQ B401 · binds ASN125, TYR198, LEU200, ASN125, TYR198, LEU200
  • 4N7J · Tailoring small molecules for an allosteric site on procaspase-6 · 2GQ B401 · binds TYR198, THR199, LEU200, PRO201, TYR198, THR199, LEU200
  • 4N7M · Tailoring small molecules for an allosteric site on procaspase-6 · 2GQ A401 · binds TYR198, THR199, LEU200, PRO201, TYR198, THR199, LEU200

Residues it binds most

LEU 6, TYR 6, THR 4, ASN 2, PRO 4 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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