SEQ2FUN

BioLiP

PDB CCD ID: PSY
Number of entries in BioLiP: 2
Chemical formula: C8 H8 O3 S
InChI: InChI=1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2
InChIKey: CILDJVVXNMDAGY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C=C[S](=O)(=O)Oc1ccccc1
OpenEye OEToolkits 1.5.0C=CS(=O)(=O)Oc1ccccc1
ACDLabs 10.04O=S(=O)(Oc1ccccc1)\C=C
Name:phenyl ethenesulfonate
DrugBank: DB08433
ZINC: ZINC000002167094
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).