BioLiP

PDB

BioLiP

PDB CCD ID:

VBV

Number of entries in BioLiP:

Chemical formula:

C12 H10 O6 S2

InChI:

InChI=1S/C12H10O6S2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(H,13,14,15)(H,16,17,18)

InChIKey:

ABSXMLODUTXQDJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[S](=O)(=O)c1ccc(cc1)c2ccc(cc2)[S](O)(=O)=O
ACDLabs 12.01	O=S(c2ccc(c1ccc(cc1)S(O)(=O)=O)cc2)(=O)O
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2ccc(cc2)S(=O)(=O)O)S(=O)(=O)O

Name:

[1,1'-biphenyl]-4,4'-disulfonic acid

ZINC:

ZINC000001866983

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).