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Ligand · GTU

GTU · N-[3-[(4R)-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide

GTU, N-[3-[(4R)-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide (C20 H16 F N5 O2, 377.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
GTU
Formula
C20 H16 F N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

GTU in 2 structures; the first of them:

  • 7D2X · Crystal Structure of BACE1 in complex with N-{3-[(4R)-2-amino-4-(prop-1-yn-1-yl)-5,6-dihyd… · GTU A505 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 12 more
  • 7D2X · Crystal structure of BACE1 in complex with N-{3-[(4R)-2-amino-4-(prop… · GTU A505 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 12 more

Residues it binds most

GLY 2, ASP 2, ILE 2, SER 2, THR 2, TRP 2, ALA 2, ARG 2, GLN 2, LEU 2 (residue and the binding sites it lines).

Found with

  • IOD · Iodide ion
  • GOL · Glycerol

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