GL1X · GenesisL1 explorer

Ligand · 3GN

3GN · 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide

3GN, 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide (C13 H16 N4 O, 244.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
3GN
Formula
C13 H16 N4 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

3GN in 4 structures; the first of them:

  • 3GN7 · PARP complexed with A861696 · 3GN A900 · binds GLU102, TRP200, HIS201, GLY202, GLY227, TYR228, TYR235, PHE236 and 5 more
  • 4TJY · Crystal Structure of human Tankyrase 2 in complex with ABT-888. · 3GN A1202 · binds PHE1030, HIS1031, GLY1032, GLY1053, TYR1060, PHE1061, ALA1062, LYS1067 and 4 more
  • 3GN7 · Parp complexed with A861696 · 3GN A900 · binds GLU102, TRP200, HIS201, GLY202, GLY227, TYR228, TYR235, PHE236 and 5 more
  • 4TJY · Crystal structure of human tankyrase 2 in complex with abt-888. · 3GN A1202 · binds PHE1030, HIS1031, GLY1032, GLY1053, TYR1060, PHE1061, ALA1062, LYS1067 and 4 more

Residues it binds most

TYR 8, GLY 8, PHE 8, GLU 8, ALA 8, HIS 8, LYS 8, SER 8, ILE 6, TRP 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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