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BioLiP

PDB CCD ID: AUD
Number of entries in BioLiP: 7
Chemical formula: C4 H5 N O4 S
InChI: InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)
InChIKey: YGCFIWIQZPHFLU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1=CC(=O)NS(=O)(=O)O1
ACDLabs 12.01CC=1OS(=O)(=O)NC(=O)C=1
CACTVS 3.385CC1=CC(=O)N[S](=O)(=O)O1
Name:Acesulfame;
6-methyl-2H-1,2lambda~6~,3-oxathiazine-2,2,4(3H)-trione
ChEMBL: CHEMBL176687
DrugBank: DB16868
ZINC: ZINC000002009976
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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