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Ligand · 46X

46X · 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile

46X, 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile (C8 H11 N5, 177.2 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 binds most…

Component
46X
Formula
C8 H11 N5
Class
ligand
Structures
2
PDB entries
1

Binding sites

46X in 2 structures; the first of them:

  • 4Y4T · Endothiapepsin in complex with fragment 114 · 46X A408 · binds ASP35, GLY37, TYR79, GLY80, ASP81, PHE116, LEU125, ASP219 and 3 more
  • 4Y4T · Endothiapepsin in complex with fragment 114 · 46X A408 · binds ASP35, GLY37, TYR79, GLY80, ASP81, PHE116, LEU125, ASP219 and 3 more

Residues it binds most

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

Found with

  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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