BioLiP

PDB

BioLiP

PDB CCD ID:

YI6

Number of entries in BioLiP:

Chemical formula:

C10 H12 O3

InChI:

InChI=1S/C10H12O3/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)

InChIKey:

ZVVWZNFSMIFGEP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCOc1ccc(cc1)CC(=O)O
CACTVS 3.385	CCOc1ccc(CC(O)=O)cc1

Name:

2-(4-ethoxyphenyl)ethanoic acid

ZINC:

ZINC000000225417

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).