BioLiP

PDB

BioLiP

PDB CCD ID:

NIN

Number of entries in BioLiP:

Chemical formula:

C6 H4 N2 O4

InChI:

InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H

InChIKey:

WDCYWAQPCXBPJA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
ACDLabs 12.01	O=[N+]([O-])c1cccc([N+]([O-])=O)c1
CACTVS 3.370	[O-][N+](=O)c1cccc(c1)[N+]([O-])=O

Name:

DINITROPHENYLENE

ChEMBL:

CHEMBL114070

DrugBank:

DB02680

ZINC:

ZINC000001683353

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).