Ligand
Ligand Name:   MTSET
Ligand Type:   non-polymer
Ligand ID:   COVPDB769 PubChem:   107934
Synonym(s):  
  •   trimethyl-(2-methylsulfonylsulfanylethyl)azanium bromide
  • chembl224476
  • 210167-37-6
  • trimethyl(2-methylsulfonylsulfanylethyl)azanium
  • schembl4428714
  • dtxsid80276044
  • ethanaminium, n,n,n-trimethyl-2-[(methylsulfonyl)thio]-
  • zinc2562407
  • bdbm50476262
show 8 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL224476
Canonical SMILES:   C[N+](C)(C)CCSS(=O)(=O)C
Standard InChI:   InChI=1S/C6H16NO2S2/c1-7(2,3)5-6-10-11(4,8)9/h5-6H2,1-4H3/q+1
Molecular Formula:   C6H16NO2S2+ Mol. Weight:   198.06169 logP:   0.3854
HBD:   0 HBA:   3
#Rotatable Bonds:   4 TPSA:   34.14

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Sortase B Q2FZE3 (SRTB_STAA8) Staphylococcus aureus (strain NCTC 8325 / PS 47) 1QWZ ETM
-
-
SHOW
Sortase B Q2FZE3 (SRTB_STAA8) Staphylococcus aureus (strain NCTC 8325 / PS 47) 1QXA ETM
-
-
SHOW