BioLiP

PDB

BioLiP

PDB CCD ID:

NFZ

Number of entries in BioLiP:

Chemical formula:

C6 H6 N4 O4

InChI:

InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+

InChIKey:

IAIWVQXQOWNYOU-FPYGCLRLSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC(=O)N\N=C\c1oc(cc1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0	c1cc(oc1C=NNC(=O)N)[N+](=O)[O-]
OpenEye OEToolkits 1.5.0	c1cc(oc1\C=N\NC(=O)N)[N+](=O)[O-]
CACTVS 3.341	NC(=O)NN=Cc1oc(cc1)[N+]([O-])=O
ACDLabs 10.04	O=[N+]([O-])c1oc(/C=N/NC(=O)N)cc1

Name:

NITROFURAZONE;
5-NITRO-2-FURALDEHYDE SEMICARBAZONE

ChEMBL:

CHEMBL869

DrugBank:

DB00336

ZINC:

ZINC000000897369

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).