BioLiP

PDB

BioLiP

PDB CCD ID:

11H

Number of entries in BioLiP:

Chemical formula:

C14 H8 O8 S2

InChI:

InChI=1S/C14H8O8S2/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)

InChIKey:

MSSUFHMGCXOVBZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S(=O)(O)c3ccc2C(=O)c1c(ccc(c1)S(=O)(=O)O)C(=O)c2c3
OpenEye OEToolkits 1.7.6	c1cc2c(cc1S(=O)(=O)O)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O
CACTVS 3.370	O[S](=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)[S](O)(=O)=O

Name:

9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid

ChEMBL:

CHEMBL3747842

ZINC:

ZINC000003964228

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).