BioLiP

PDB

BioLiP

PDB CCD ID:

GEB

Number of entries in BioLiP:

Chemical formula:

C10 H18 N2 O2

InChI:

InChI=1S/C10H18N2O2/c13-9-1-3-11-5-7-12(8-6-11)4-2-10-14/h9-10H,1-8H2

InChIKey:

YNICZMOQZCCMFE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1CN(CCN1CCC=O)CCC=O
CACTVS 3.385	O=CCCN1CCN(CCC=O)CC1

Name:

3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal

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).