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BioLiP

PDB CCD ID: E60
Number of entries in BioLiP: 1
Chemical formula: C3 H3 N O S2
InChI: InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
InChIKey: KIWUVOGUEXMXSV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1C(=O)NC(=S)S1
CACTVS 3.385O=C1CSC(=S)N1
Name:2-sulfanylidene-1,3-thiazolidin-4-one
ChEMBL: CHEMBL224633
ZINC: ZINC000003875936
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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