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Ligand · X00

X00 · {(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)

X00, {(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) (C44 H58 N4 O3 S2 Si2, 811.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
X00
Formula
C44 H58 N4 O3 S2 Si2
Class
ligand
Structures
2
PDB entries
1

Binding sites

X00 in 2 structures; the first of them:

  • 4MQA · Human beta-tryptase co-crystal structure with {(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis… · X00 B301 · binds TYR114, THR115, GLN117, ASP218, SER219, CYS220, GLN221, SER224 and 23 more
  • 4MQA · Human beta-tryptase co-crystal structure with {(1,1,3,3… · X00 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

  • SO4 · Sulfate ion
  • PG4 · Tetraethylene glycol

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