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Ligand · 2AJ

2AJ · [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)

2AJ, [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) (C46 H54 N4 O5 Si2, 799.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
2AJ
Formula
C46 H54 N4 O5 Si2
Class
ligand
Structures
2
PDB entries
1

Binding sites

2AJ in 2 structures; the first of them:

  • 4MPW · Human beta-tryptase co-crystal structure with [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di… · 2AJ B301 · binds TYR114, THR115, GLN117, ASP218, SER219, CYS220, GLN221, SER224 and 23 more
  • 4MPW · Human beta-tryptase co-crystal structure with [(1,1,3,3… · 2AJ B301 · binds TYR114, THR115, GLN117, ASP218, SER219, CYS220, GLN221, SER224 and 23 more

Residues it binds most

GLY 2, SER 2, CYS 2, GLN 2, ASP 2, GLU 2, THR 2, TRP 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • ACT · Acetate ion
  • PGE · Triethylene glycol

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