BioLiP

PDB

BioLiP

PDB CCD ID:

NTS

Number of entries in BioLiP:

Chemical formula:

C10 H5 O9 S3

InChI:

InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3

InChIKey:

ZPBSAMLXSQCSOX-UHFFFAOYSA-K

SMILES:

Software	SMILES
CACTVS 3.341	[O-][S](=O)(=O)c1ccc2c(c1)cc(cc2[S]([O-])(=O)=O)[S]([O-])(=O)=O
ACDLabs 10.04	[O-]S(=O)(=O)c1cc2c(cc1)c(cc(c2)S([O-])(=O)=O)S([O-])(=O)=O
OpenEye OEToolkits 1.5.0	c1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-]

Name:

NAPHTHALENE TRISULFONATE

DrugBank:

DB04409

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).