BioLiP

PDB

BioLiP

PDB CCD ID:

A1MBB

Number of entries in BioLiP:

Chemical formula:

C10 H10 O2

InChI:

InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+

InChIKey:

CCRCUPLGCSFEDV-BQYQJAHWSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COC(=O)C=Cc1ccccc1
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COC(=O)/C=C/c1ccccc1

Name:

Methyl cinnamate;
methyl (~{E})-3-phenylprop-2-enoate

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).