BioLiP

PDB

BioLiP

PDB CCD ID:

A1ITZ

Number of entries in BioLiP:

Chemical formula:

C11 H11 N3 O

InChI:

InChI=1S/C11H11N3O/c1-2-7-12-9(6-1)10-13-11(15-14-10)8-4-3-5-8/h1-2,6-8H,3-5H2

InChIKey:

FCTPHBMVNNDUSQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccnc(c1)c2nc(on2)C3CCC3
CACTVS 3.385	C1CC(C1)c2onc(n2)c3ccccn3

Name:

5-cyclobutyl-3-pyridin-2-yl-1,2,4-oxadiazole

ChEMBL:

CHEMBL1724802

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).