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BioLiP Library

PDB CCD ID: S62
Number of entries in BioLiP: 2
Chemical formula: C7 H5 N O6 S3
InChI: InChI=1S/C7H5NO6S3/c9-16(10,11)4-1-2-6-5(3-4)8-7(15-6)17(12,13)14/h1-3H,(H,9,10,11)(H,12,13,14)
InChIKey: LPQVEXUZOUXFTH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(O)c1cc2nc(sc2cc1)S(=O)(=O)O
OpenEye OEToolkits 1.7.0c1cc2c(cc1S(=O)(=O)O)nc(s2)S(=O)(=O)O
CACTVS 3.370O[S](=O)(=O)c1ccc2sc(nc2c1)[S](O)(=O)=O
Name:1,3-benzothiazole-2,5-disulfonic acid
ZINC: ZINC000001714720
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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