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Ligand · 4QA

4QA · 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one

4QA, 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one (C29 H37 F N4 O2, 492.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
4QA
Formula
C29 H37 F N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4QA in 2 structures; the first of them:

  • 4ZPE · BACE1 in complex with 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-(3-isopropoxybenzyl)-1,3,8… · 4QA A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, TYR71, THR72, GLN73 and 17 more
  • 4ZPE · BACE1 in complex with 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-(3… · 4QA A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, TYR71, THR72, GLN73 and 17 more

Residues it binds most

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

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