Ligand
Ligand Name:   phenyl vinylsulfonate
Ligand Type:   non-polymer
Ligand ID:   COVPDB1240 PubChem:   564920
Synonym(s):  
  •   phenyl ethenesulfonate
  • 1562-34-1
  • phenyl ethylenesulfonate
  • ethenesulfonic acid, phenyl ester
  • unii-hn14rw9pvp
  • phenyl ethene-1-sulfonate
  • hn14rw9pvp
  • phenylvinylsulfonate
  • acmc-20ajwu
  • phenyl vinyl sulfonate
  • phenyl 1-ethylenesulfonate
  • phenyl ethylenesulfonate #
  • phenyl vinylsulfonate, 95%
  • schembl346886
  • ethenesulfonic acid phenyl ester
  • dtxsid10340464
  • zinc2167094
  • akos001075959
  • cs-w004160
  • db08433
  • mcule-3028772953
  • ne42873
  • ft-0693835
  • 562p341
  • j-009288
  • q27097640
show 25 synonym(s)
DrugBank:   DB08433 ChEMBL:   CHEMBL1235473
Canonical SMILES:   C=CS(=O)(=O)Oc1ccccc1
Standard InChI:   InChI=1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2
Molecular Formula:   C8H8O3S Mol. Weight:   184.01941 logP:   1.5387
HBD:   0 HBA:   3
#Rotatable Bonds:   3 TPSA:   43.37

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Tyrosine-protein phosphatase YopH P15273 (YOPH_YEREN) Yersinia enterocolitica 3BLT PSY Ki : 290000 nM PDBBind SHOW