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Ligand · 0UQ

0UQ · (5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide

0UQ, (5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide (C24 H32 F N3 O3 S, 461.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
0UQ
Formula
C24 H32 F N3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0UQ in 2 structures; the first of them:

  • 4FM8 · Crystal Structure of BACE with Compound 12a · 0UQ A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, SER35, TYR71, THR72 and 12 more
  • 4FM8 · Crystal structure of bace with compound 12A · 0UQ A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, SER35, TYR71, THR72 and 12 more

Residues it binds most

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

Found with

  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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