BioLiP

PDB

BioLiP

PDB CCD ID:

A1BFK

Number of entries in BioLiP:

Chemical formula:

C9 H16 N4 O

InChI:

InChI=1S/C9H16N4O/c1-13(2)9-11-8(14-12-9)7-3-5-10-6-4-7/h7,10H,3-6H2,1-2H3

InChIKey:

STXBTTYNIARXAD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CN(C)c1nc(on1)C2CCNCC2
ACDLabs 14.52	CN(C)c1nc(on1)C1CCNCC1
CACTVS 3.385	CN(C)c1noc(n1)C2CCNCC2

Name:

N,N-dimethyl-5-(piperidin-4-yl)-1,2,4-oxadiazol-3-amine

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).