BioLiP

PDB

BioLiP

PDB CCD ID:

K3Z

Number of entries in BioLiP:

Chemical formula:

C10 H10 O3

InChI:

InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+

InChIKey:

AFDXODALSZRGIH-QPJJXVBHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)C=CC(=O)O
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)/C=C/C(=O)O
CACTVS 3.385	COc1ccc(/C=C/C(O)=O)cc1
CACTVS 3.385	COc1ccc(C=CC(O)=O)cc1

Name:

(E)-3-(4-methoxyphenyl)acrylic acid

ChEMBL:

CHEMBL95770

ZINC:

ZINC000000077999

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).