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BioLiP

PDB CCD ID: JTY
Number of entries in BioLiP: 2
Chemical formula: C10 H8 N2 O4 S2
InChI: InChI=1S/C10H8N2O4S2/c13-10(14)8-9(17-6-11-8)12-18(15,16)7-4-2-1-3-5-7/h1-6,12H,(H,13,14)
InChIKey: XOXXLROXAKZQOM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)S(=O)(=O)Nc2c(ncs2)C(=O)O
CACTVS 3.385OC(=O)c1ncsc1N[S](=O)(=O)c2ccccc2
Name:5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid
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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