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BioLiP

PDB CCD ID: MJ2
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N O2 S
InChI: InChI=1S/C8H11NO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
InChIKey: BRPHYVPAIXLWED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(cc(c1)S(=O)(=O)N)C
CACTVS 3.385Cc1cc(C)cc(c1)[S](N)(=O)=O
Name:3,5-dimethylbenzenesulfonamide
ZINC: ZINC000037466972
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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