BioLiP

PDB

BioLiP

PDB CCD ID:

21D

Number of entries in BioLiP:

Chemical formula:

C10 H8 O6 S2

InChI:

InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)

InChIKey:

XTEGVFVZDVNBPF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[S](=O)(=O)c1cccc2c1cccc2[S](O)(=O)=O
OpenEye OEToolkits 1.7.6	c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O
ACDLabs 12.01	O=S(=O)(O)c1cccc2c1cccc2S(=O)(=O)O

Name:

naphthalene-1,5-disulfonic acid

ZINC:

ZINC000001605332

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).