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BioLiP

PDB CCD ID: USC
Number of entries in BioLiP: 0
Chemical formula: C9 H9 N O6 S
InChI: InChI=1S/C9H9NO6S/c1-17(15,16)10-7-3-5(8(11)12)2-6(4-7)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14)
InChIKey: RHRDZYNNRHDSCS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CS(=O)(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O
ACDLabs 12.01O=S(=O)(Nc1cc(cc(c1)C(=O)O)C(=O)O)C
CACTVS 3.370C[S](=O)(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
Name:5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic 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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