BioLiP

PDB

BioLiP

PDB CCD ID:

FUR

Number of entries in BioLiP:

Chemical formula:

C8 H5 N3 O5

InChI:

InChI=1S/C8H5N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-5H/b9-5+

InChIKey:

OEJYWOUVKXLNIN-WEVVVXLNSA-N

SMILES:

Software	SMILES
CACTVS 3.341	[O-][N+](=O)c1oc(cc1)C=NN2C=COC2=O
ACDLabs 10.04	O=C2OC=CN2/N=C/c1oc([N+]([O-])=O)cc1
CACTVS 3.341	[O-][N+](=O)c1oc(cc1)\C=N\N2C=COC2=O
OpenEye OEToolkits 1.5.0	c1cc(oc1C=NN2C=COC2=O)[N+](=O)[O-]

Name:

Furazolidone

ZINC:

ZINC000033821307

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).