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BioLiP

PDB CCD ID: BTE
Number of entries in BioLiP: 5
Chemical formula: C6 H5 N3 S
InChI: InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2
InChIKey: DRLGIZIAMHIQHL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1cccc2nsnc12
ACDLabs 12.01n1snc2c(cccc12)N
OpenEye OEToolkits 1.7.6c1cc(c2c(c1)nsn2)N
Name:2,1,3-benzothiadiazol-4-amine
ChEMBL: CHEMBL1447590
ZINC: ZINC000000161237
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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