BioLiP

PDB

BioLiP

PDB CCD ID:

PW3

Number of entries in BioLiP:

Chemical formula:

C6 H10 N2 O2

InChI:

InChI=1S/C6H10N2O2/c1-5(9)8-3-2-7-6(10)4-8/h2-4H2,1H3,(H,7,10)

InChIKey:

ISNPMTVERREURB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.7.6	CC(=O)N1CCNC(=O)C1

Name:

4-acetyl-piperazin-2-one

ZINC:

ZINC000039278244

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).