BioLiP

PDB

BioLiP

PDB CCD ID:

HF6

Number of entries in BioLiP:

Chemical formula:

C10 H10 O3

InChI:

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

InChIKey:

NITWSHWHQAQBAW-QPJJXVBHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COC(=O)/C=C/c1ccc(O)cc1
CACTVS 3.385	COC(=O)C=Cc1ccc(O)cc1
OpenEye OEToolkits 2.0.7	COC(=O)C=Cc1ccc(cc1)O
OpenEye OEToolkits 2.0.7	COC(=O)/C=C/c1ccc(cc1)O

Name:

methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

ChEMBL:

CHEMBL146816

ZINC:

ZINC000000153731

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).