BioLiP

PDB

BioLiP

PDB CCD ID:

QPE

Number of entries in BioLiP:

Chemical formula:

C11 H12 O2

InChI:

InChI=1S/C11H12O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8-

InChIKey:

QILOUBBQVGUFNG-HJWRWDBZSA-N

SMILES:

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

Name:

methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate

ZINC:

ZINC000001707194

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).