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Ligand · 47Q

47Q · 5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one

47Q, 5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one (C13 H12 N4 O, 240.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
47Q
Formula
C13 H12 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

47Q in 2 structures; the first of them:

  • 4Y4X · Endothiapepsin in complex with fragment 51 · 47Q A407 · binds ILE10, ASP15, ALA16, ASP81, SER83, SER115, PHE116, ASP119 and 4 more
  • 4Y4X · Endothiapepsin in complex with fragment 51 · 47Q A407 · binds ILE10, ASP15, ALA16, ASP81, SER83, SER115, PHE116, ASP119 and 4 more

Residues it binds most

ASP 2, ILE 2, SER 2, THR 2, ALA 2, GLY 2, PHE 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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