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BioLiP

PDB CCD ID: TZJ
Number of entries in BioLiP: 1
Chemical formula: C10 H5 Cl2 N3 O2 S3
InChI: InChI=1S/C10H5Cl2N3O2S3/c11-8-4-7(10(12)18-8)20(16,17)15-6-3-1-2-5-9(6)14-19-13-5/h1-4,15H
InChIKey: NMTCNEQKSRYVGC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1sc(Cl)c(c1)[S](=O)(=O)Nc2cccc3nsnc23
OpenEye OEToolkits 2.0.7c1cc2c(c(c1)NS(=O)(=O)c3cc(sc3Cl)Cl)nsn2
ACDLabs 12.01Clc1cc(c(Cl)s1)S(=O)(=O)Nc1cccc2nsnc12
Name:N-(2,1,3-benzothiadiazol-4-yl)-2,5-dichlorothiophene-3-sulfonamide
ZINC: ZINC000001038779
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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