BioLiP

PDB

BioLiP

PDB CCD ID:

WLA

Number of entries in BioLiP:

Chemical formula:

C10 H20 N2 O

InChI:

InChI=1S/C10H20N2O/c1-7-13-8-2-10(1)9-12-5-3-11-4-6-12/h10-11H,1-9H2

InChIKey:

XVQLGUIPBIHANF-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	C1CN(CCN1)CC2CCOCC2
OpenEye OEToolkits 2.0.7	C1COCCC1CN2CCNCC2

Name:

1-[(oxan-4-yl)methyl]piperazine

ZINC:

ZINC000052170969

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).