BioLiP

PDB

BioLiP

PDB CCD ID:

2UV

Number of entries in BioLiP:

Chemical formula:

C16 H16 O3

InChI:

InChI=1S/C16H16O3/c1-2-3-11-4-6-12(7-5-11)13-8-9-15(17)14(10-13)16(18)19/h4-10,17H,2-3H2,1H3,(H,18,19)

InChIKey:

UJKHDAKYKWKQAC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)c1cc(ccc1O)c2ccc(cc2)CCC
OpenEye OEToolkits 1.7.6	CCCc1ccc(cc1)c2ccc(c(c2)C(=O)O)O
CACTVS 3.385	CCCc1ccc(cc1)c2ccc(O)c(c2)C(O)=O

Name:

4-hydroxy-4'-propylbiphenyl-3-carboxylic acid

ChEMBL:

CHEMBL3126318

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).