BioLiP

PDB

BioLiP

PDB CCD ID:

AQN

Number of entries in BioLiP:

Chemical formula:

C14 H8 O5 S

InChI:

InChI=1S/C14H8O5S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13/h1-7H,(H,17,18,19)

InChIKey:

MMNWSHJJPDXKCH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	O[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
OpenEye OEToolkits 1.7.2	c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O
ACDLabs 12.01	O=S(=O)(O)c3ccc2C(=O)c1c(cccc1)C(=O)c2c3

Name:

9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

ChEMBL:

CHEMBL3305895

ZINC:

ZINC000003875860

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).