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BioLiP

PDB CCD ID: 203
Number of entries in BioLiP: 2
Chemical formula: C4 H4 N4 O3 S
InChI: InChI=1S/C4H4N4O3S/c9-4-2-3(6-1-5-2)7-12(10,11)8-4/h1,7H,(H,5,6)(H,8,9)
InChIKey: BSAXWMSAVVOOHO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O=C1N[S](=O)(=O)Nc2nc[nH]c12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)NS(=O)(=O)NC2=O
ACDLabs 10.04O=C2c1c(ncn1)NS(=O)(=O)N2
Name:1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE
ChEMBL: CHEMBL484860
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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