BioLiP

PDB

BioLiP

PDB CCD ID:

4SX

Number of entries in BioLiP:

Chemical formula:

C6 H6 O5 S

InChI:

InChI=1S/C6H6O5S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3,7-8H,(H,9,10,11)

InChIKey:

LTPDITOEDOAWRU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc(cc1O)[S](O)(=O)=O
ACDLabs 12.01	O=S(c1cc(c(cc1)O)O)(O)=O
OpenEye OEToolkits 1.9.2	c1cc(c(cc1S(=O)(=O)O)O)O

Name:

3,4-dihydroxybenzenesulfonic acid

ZINC:

ZINC000001530527

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).