BioLiP

PDB

BioLiP

PDB CCD ID:

XIT

Number of entries in BioLiP:

Chemical formula:

C15 H14 O3

InChI:

InChI=1S/C15H14O3/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h3-10,16H,1-2H2,(H,17,18)

InChIKey:

WOXPALUGMQGUKB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1CCc2ccc(cc2)O)C(=O)O
CACTVS 3.385	OC(=O)c1ccc(CCc2ccc(O)cc2)cc1

Name:

4-(4-hydroxyphenethyl)benzoic acid;
4-[2-(4-hydroxyphenyl)ethyl]benzoic 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).