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Ligand · 47U

47U · N-(pyridin-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide

47U, N-(pyridin-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide (C13 H16 N4 O, 244.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
47U
Formula
C13 H16 N4 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

47U in 3 structures; the first of them:

  • 4Y5G · Endothiapepsin in complex with fragment 272 · 47U A401 · binds ASP35, TYR79, GLY80, ASP81, SER83, LEU125, GLY221, THR222 and 3 more
  • 8S47 · CdaA-D07 complex · 47U A201 · binds LEU31, GLY72, ALA73, SER86, TYR87, LEU88, PRO89, LEU90 and 2 more
  • 4Y5G · Endothiapepsin in complex with fragment 272 · 47U A401 · binds ASP35, TYR79, GLY80, ASP81, SER83, LEU125, GLY221, THR222 and 3 more

Residues it binds most

LEU 4, GLY 4, TYR 4, ALA 2, ASP 2, ILE 2, SER 4, THR 4, PRO 2 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • CL · Chloride ion

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