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BioLiP

PDB CCD ID: XGS
Number of entries in BioLiP: 8
Chemical formula: C2 H5 N O2 S
InChI: InChI=1S/C2H5NO2S/c4-6(5)2-1-3-6/h3H,1-2H2
InChIKey: GNPXXOFTVXIOLF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=[S]1(=O)CCN1
ACDLabs 12.01O=S1(NCC1)=O
OpenEye OEToolkits 2.0.7C1CS(=O)(=O)N1
Name:1lambda~6~,2-thiazetidine-1,1-dione
ZINC: ZINC000032628061
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)(download the PDF file).
  • 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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