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Ligand · B00

B00 · 2-amino-3-methyl-6-[(1S,2R)-2-phenylcyclopropyl]pyrimidin-4(3H)-one

B00, 2-amino-3-methyl-6-[(1S,2R)-2-phenylcyclopropyl]pyrimidin-4(3H)-one (C14 H15 N3 O, 241.3 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…

Component
B00
Formula
C14 H15 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

B00 in 2 structures; the first of them:

  • 3VV6 · Crystal Structure of beta secetase in complex with 2-amino-3-methyl-6-((1S… · B00 A510 · binds LEU30, ASP32, GLY34, SER35, TYR71, PHE108, ILE118, ASP228 and 2 more
  • 3VV6 · Crystal structure of beta secetase in complex with 2-amino-3-methyl-6- ((1S… · B00 A510 · binds LEU30, ASP32, GLY34, SER35, TYR71, PHE108, ILE118, ASP228 and 2 more

Residues it binds most

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

Found with

  • IOD · Iodide ion
  • GOL · Glycerol

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