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Ligand · X17

X17 · (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one

X17, (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one (C22 H29 N3 O2, 367.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
X17
Formula
C22 H29 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

X17 in 2 structures; the first of them:

  • 3INE · Bace1 with the aminohydantoin Compound S-34 · X17 A1 · binds LEU92, ASP94, GLY96, SER97, ASN99, VAL131, TYR133, TRP138 and 7 more
  • 3INE · BACE1 with the aminohydantoin compound S-34 · X17 A1 · binds LEU92, ASP94, GLY96, SER97, ASN99, VAL131, TYR133, TRP138 and 7 more

Residues it binds most

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

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