BioLiP

PDB

BioLiP

PDB CCD ID:

SX9

Number of entries in BioLiP:

Chemical formula:

C15 H20 N2 O

InChI:

InChI=1S/C15H20N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-7,9H,8,10-13H2,1H3/b9-5+

InChIKey:

ZITAIQWIBNEJAO-WEVVVXLNSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=O)N1CCN(CC1)/C=C/Cc2ccccc2
ACDLabs 12.01	O=C(C)N1CCN(/C=C/Cc2ccccc2)CC1
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=O)N1CCN(CC1)C=CCc2ccccc2

Name:

1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one

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).