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BioLiP

PDB CCD ID: TEZ
Number of entries in BioLiP: 2
Chemical formula: C8 H7 N3 O S
InChI: InChI=1S/C8H7N3OS/c1-5(12)9-6-2-3-7-8(4-6)11-13-10-7/h2-4H,1H3,(H,9,12)
InChIKey: DCJCIZAANYCYFG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1ccc2nsnc2c1
OpenEye OEToolkits 2.0.7CC(=O)Nc1ccc2c(c1)nsn2
Name:N-(2,1,3-Benzothiadiazol-5-yl)acetamide;
~{N}-(2,1,3-benzothiadiazol-5-yl)ethanamide
ChEMBL: CHEMBL1308822
ZINC: ZINC000000258308
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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