BioLiP

PDB

BioLiP

PDB CCD ID:

NXM

Number of entries in BioLiP:

Chemical formula:

C11 H17 N3 O

InChI:

InChI=1S/C11H17N3O/c1-2-9(1)11-13-10(15-14-11)7-8-3-5-12-6-4-8/h8-9,12H,1-7H2

InChIKey:

UMIHXIWIKFHJRW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n2c(CC1CCNCC1)onc2C3CC3
OpenEye OEToolkits 2.0.6	C1CC1c2nc(on2)CC3CCNCC3
CACTVS 3.385	C1CC(CCN1)Cc2onc(n2)C3CC3

Name:

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine

ZINC:

ZINC000045893383

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).