BioLiP

PDB

BioLiP

PDB CCD ID:

1VK

Number of entries in BioLiP:

Chemical formula:

C9 H7 N3 O2

InChI:

InChI=1S/C9H7N3O2/c10-9-7(11-14-12-9)8(13)6-4-2-1-3-5-6/h1-5H,(H2,10,12)

InChIKey:

FSUWRFXTSWSYPV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(c1ccccc1)c2nonc2N
CACTVS 3.385	Nc1nonc1C(=O)c2ccccc2
OpenEye OEToolkits 1.9.2	c1ccc(cc1)C(=O)c2c(non2)N

Name:

(4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone

ZINC:

ZINC000001304678

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).