BioLiP

PDB

BioLiP

PDB CCD ID:

5VJ

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	O=[S]1(=O)Nc2ccccc2c3ccccc13
OpenEye OEToolkits 2.0.4	c1ccc2c(c1)-c3ccccc3S(=O)(=O)N2

Name:

6~{H}-benzo[c][1,2]benzothiazine 5,5-dioxide

ZINC:

ZINC000000096040

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).