BioLiP

PDB

BioLiP

PDB CCD ID:

S5A

Number of entries in BioLiP:

Chemical formula:

C15 H14 O3

InChI:

InChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-2,4-9,16H,3,10H2,(H,17,18)

InChIKey:

RPNLKEFLRMFPEN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1CCC(=O)O)c2ccc(cc2)O
CACTVS 3.385	OC(=O)CCc1ccc(cc1)c2ccc(O)cc2

Name:

3-[4-(4-hydroxyphenyl)phenyl]propanoic acid

ZINC:

ZINC000000339196

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).