BioLiP

PDB

BioLiP

PDB CCD ID:

A1JDE

Number of entries in BioLiP:

Chemical formula:

C19 H16 O4 S

InChI:

InChI=1S/C19H16O4S/c20-16-6-10-18(11-7-16)24(21,22)19-12-8-17(9-13-19)23-14-15-4-2-1-3-5-15/h1-13,20H,14H2

InChIKey:

UWPJWCBDMZHMTN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)COc2ccc(cc2)S(=O)(=O)c3ccc(cc3)O
CACTVS 3.385	Oc1ccc(cc1)[S](=O)(=O)c2ccc(OCc3ccccc3)cc2

Name:

4-(4-phenylmethoxyphenyl)sulfonylphenol;
UWPJWCBDMZHMTN-UHFFFAOYSA-N

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).