BioLiP

PDB

BioLiP

PDB CCD ID:

WKA

Number of entries in BioLiP:

Chemical formula:

C8 H7 N3 O2

InChI:

InChI=1S/C8H7N3O2/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4H,1H3,(H,9,12)

InChIKey:

JJHRQXVBTBBRGJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)Nc1cccc2nonc12
OpenEye OEToolkits 2.0.7	CC(=O)Nc1cccc2c1non2
ACDLabs 12.01	n2c1c(NC(C)=O)cccc1no2

Name:

N-(2,1,3-benzoxadiazol-4-yl)acetamide

ZINC:

ZINC000000291833

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).