BioLiP

PDB

BioLiP

PDB CCD ID:

6OR

Number of entries in BioLiP:

Chemical formula:

C6 H4 Cl2 O4 S

InChI:

InChI=1S/C6H4Cl2O4S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,9H,(H,10,11,12)

InChIKey:

PGDCAFRJYQICAY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1c(Cl)cc(cc1Cl)[S](O)(=O)=O
ACDLabs 12.01	c1c(c(c(cc1S(O)(=O)=O)Cl)O)Cl
OpenEye OEToolkits 2.0.4	c1c(cc(c(c1Cl)O)Cl)S(=O)(=O)O

Name:

3,5-dichloro-4-hydroxybenzene-1-sulfonic acid

ZINC:

ZINC000001737176

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).