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BioLiP Library

PDB CCD ID: 5VJ
Number of entries in BioLiP: 1
Chemical formula: C12 H9 N O2 S
InChI: InChI=1S/C12H9NO2S/c14-16(15)12-8-4-2-6-10(12)9-5-1-3-7-11(9)13-16/h1-8,13H
InChIKey: HXNJMXAYTVQMJT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=[S]1(=O)Nc2ccccc2c3ccccc13
OpenEye OEToolkits 2.0.4c1ccc2c(c1)-c3ccccc3S(=O)(=O)N2
Name:6~{H}-benzo[c][1,2]benzothiazine 5,5-dioxide
ZINC: ZINC000000096040
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)(download the PDF file).
  • 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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