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Ligand · 47P

47P · 2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one

47P, 2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one (C15 H19 N3 O, 257.3 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…

Component
47P
Formula
C15 H19 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

47P in 2 structures; the first of them:

  • 4Y5B · Endothiapepsin in complex with fragment 261 · 47P A403 · binds ASP33, TYR79, ASP81, SER83, SER115, PHE116, ASP119, ILE122 and 2 more
  • 4Y5B · Endothiapepsin in complex with fragment 261 · 47P A403 · binds ASP33, TYR79, ASP81, SER83, SER115, PHE116, ASP119, ILE122 and 2 more

Residues it binds most

ASP 6, ILE 6, GLY 4, PHE 4, SER 2, THR 4, ALA 2, LEU 2, TYR 2 (residue and the binding sites it lines).

Found with

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

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