BioLiP

PDB

BioLiP

PDB CCD ID:

T8Y

Number of entries in BioLiP:

Chemical formula:

C8 H14 N2 O2

InChI:

InChI=1S/C8H14N2O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H2,1-2H3

InChIKey:

NBQBICYRKOTWRR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)N1CCN(CC1)C(=O)C
ACDLabs 12.01	N1(CCN(CC1)C(C)=O)C(=O)C
CACTVS 3.385	CC(=O)N1CCN(CC1)C(C)=O

Name:

1,1'-(piperazine-1,4-diyl)di(ethan-1-one)

ZINC:

ZINC000001671491

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).