BioLiP

PDB

BioLiP

PDB CCD ID:

A1IUC

Number of entries in BioLiP:

Chemical formula:

C17 H14 O4 S

InChI:

InChI=1S/C17H14O4S/c18-22(19,20)17-11-10-16(14-8-4-5-9-15(14)17)21-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,18,19,20)

InChIKey:

ZYIBEMACOFTWFX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[S](=O)(=O)c1ccc(OCc2ccccc2)c3ccccc13
OpenEye OEToolkits 2.0.7	c1ccc(cc1)COc2ccc(c3c2cccc3)S(=O)(=O)O

Name:

4-phenylmethoxynaphthalene-1-sulfonic acid

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).