SEQ2FUN

BioLiP

PDB CCD ID: VUO
Number of entries in BioLiP: 1
Chemical formula: C7 H4 O3 S
InChI: InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H
InChIKey: SLYPOVJCSQHITR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc2SC(=O)Oc2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1O)OC(=O)S2
Name:6-oxidanyl-1,3-benzoxathiol-2-one
ChEMBL: CHEMBL442687
DrugBank: DB13343
ZINC: ZINC000000002181
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).