BioLiP

PDB

BioLiP

PDB CCD ID:

VWO

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O4 S

InChI:

InChI=1S/C10H9NO4S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,12H,11H2,(H,13,14,15)

InChIKey:

HBZVNWNSRNTWPS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc2c1cc(cc2O)S(=O)(=O)O)N
CACTVS 3.385	Nc1ccc2cc(cc(O)c2c1)[S](O)(=O)=O

Name:

6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid;
7-amino-1-naphthol-3-sulfonic acid

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).