Ligand
Ligand Name:   Phenyl Vinyl Sulfonyl
Ligand Type:   non-polymer
Ligand ID:   COVPDB1243 PubChem:   79664
Synonym(s):  
  •   phenyl vinyl sulfone
  • 5535-48-8
  • (vinylsulfonyl)benzene
  • benzene, (ethenylsulfonyl)-
  • phenyl vinyl sulphone
  • sulfone, phenyl vinyl
  • vinylsulfonylbenzene
  • ethenylsulfonylbenzene
  • (ethenesulfonyl)benzene
  • (ethenylsulfonyl)benzene
  • phenyl vinylsulfone
  • mfcd00007554
  • ethenesulfonyl-benzene
  • unii-31973457vy
  • chembl165058
  • uri 744
  • 31973457vy
  • phenyl vinyl sulfone, 98%
  • phenylvinylsultone
  • phenylvinylsulphone
  • ethenesulfonylbenzene
  • santosh-a-5
  • einecs 226-890-2
  • pubchem15333
  • acmc-209lmj
  • (vinyl sulfonyl) benzene
  • (vinylsulfonyl)benzene #
  • phenyl vinyl sulfone, 99%
  • schembl45672
  • schembl13341764
  • dtxsid50203903
  • zinc391881
  • act02701
  • cs-m1815
  • nsc35394
  • anw-32297
  • bdbm50125084
  • nsc-35394
  • stk695234
  • dioxo(phenyl)vinyl-lambda~6~-sulfane
  • akos005146278
  • ls11432
  • mcule-4035472855
  • qc-1585
  • va10092
  • ak-47603
  • as-17307
  • sy019515
  • u427
  • ab0006820
  • st4147555
  • (vinylsulfonyl)benzene;sulfone, phenyl vinyl
  • am20040709
  • ft-0602583
  • p0982
  • en300-65394
  • a24646
  • s-1516
  • 535p488
  • q-101907
  • q27256031
  • z1258992621
show 61 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL165058
Canonical SMILES:   C=CS(=O)(=O)c1ccccc1
Standard InChI:   InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2
Molecular Formula:   C8H8O2S Mol. Weight:   168.0245 logP:   1.6038
HBD:   0 HBA:   2
#Rotatable Bonds:   2 TPSA:   34.14

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 3BLU PVS Ki : 350000 nM PDBBind SHOW