BioLiP

PDB

BioLiP

PDB CCD ID:

XV7

Number of entries in BioLiP:

Chemical formula:

C13 H10 O6 S2

InChI:

InChI=1S/C13H10O6S2/c14-20(15,16)10-1-3-12-8(6-10)5-9-7-11(21(17,18)19)2-4-13(9)12/h1-4,6-7H,5H2,(H,14,15,16)(H,17,18,19)

InChIKey:

WBJRJWHBYUAEQD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c12c(ccc(S(O)(=O)=O)c1)c3ccc(cc3C2)S(O)(=O)=O
CACTVS 3.385	O[S](=O)(=O)c1ccc2c(Cc3cc(ccc23)[S](O)(=O)=O)c1
OpenEye OEToolkits 2.0.7	c1cc-2c(cc1S(=O)(=O)O)Cc3c2ccc(c3)S(=O)(=O)O

Name:

9H-fluorene-2,7-disulfonate

ZINC:

ZINC000002507827

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).