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BioLiP

PDB CCD ID: 0HO
Number of entries in BioLiP: 2
Chemical formula: C7 H4 N2 O2 S
InChI: InChI=1S/C7H4N2O2S/c10-7(11)4-1-2-5-6(3-4)9-12-8-5/h1-3H,(H,10,11)
InChIKey: YHMXJZVGBCACMT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cc1C(=O)O)nsn2
CACTVS 3.370OC(=O)c1ccc2nsnc2c1
ACDLabs 12.01O=C(O)c1ccc2nsnc2c1
Name:2,1,3-benzothiadiazole-5-carboxylic acid
ZINC: ZINC000000128608
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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