BioLiP

PDB

BioLiP

PDB CCD ID:

XJJ

Number of entries in BioLiP:

Chemical formula:

C4 H8 N2 O

InChI:

InChI=1S/C4H8N2O/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7)

InChIKey:

IWELDVXSEVIIGI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C1CNCCN1
ACDLabs 12.01	O=C1NCCNC1
OpenEye OEToolkits 2.0.7	C1CNC(=O)CN1

Name:

piperazin-2-one

ZINC:

ZINC000073658704

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).