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BioLiP

PDB CCD ID: QB0
Number of entries in BioLiP: 1
Chemical formula: C7 H7 N O2 S3
InChI: InChI=1S/C7H7NO2S3/c9-13(10,8-7(11)12)6-4-2-1-3-5-6/h1-5H,(H2,8,11,12)
InChIKey: OBMLUXVYPZNXGO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385SC(=S)N[S](=O)(=O)c1ccccc1
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)S(=O)(=O)NC(=S)S
Name:phenylsulfonylcarbamodithioic acid
ZINC: ZINC000017108619
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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