BioLiP

PDB

BioLiP

PDB CCD ID:

K6U

Number of entries in BioLiP:

Chemical formula:

C9 H8 N2 O2

InChI:

InChI=1S/C9H8N2O2/c1-12-8-5-3-2-4-7(8)9-11-10-6-13-9/h2-6H,1H3

InChIKey:

CMZBFAJLBDAJMC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccccc1c2nnco2
ACDLabs 12.01	COc1ccccc1c1nnco1
CACTVS 3.385	COc1ccccc1c2ocnn2

Name:

(2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole

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).