BioLiP

PDB

BioLiP

PDB CCD ID:

8OZ

Number of entries in BioLiP:

Chemical formula:

C9 H8 O2

InChI:

InChI=1S/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11)

InChIKey:

ONPJWQSDZCGSQM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C=C(c1ccccc1)C(=O)O
CACTVS 3.385	OC(=O)C(=C)c1ccccc1

Name:

2-Phenylacrylic acid

ZINC:

ZINC000001577296

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).