BioLiP

PDB

BioLiP

PDB CCD ID:

A1BNY

Number of entries in BioLiP:

Chemical formula:

C7 H4 N2 O7

InChI:

InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)

InChIKey:

LWFUFLREGJMOIZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1c(cc(c(c1C(=O)O)O)[N+](=O)[O-])[N+](=O)[O-]
CACTVS 3.385	OC(=O)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
ACDLabs 14.52	O=[N+]([O-])c1cc(cc(C(=O)O)c1O)[N+]([O-])=O

Name:

2-hydroxy-3,5-dinitrobenzoic acid;
3,5-Dinitrosalicylic acid;
DNS;
DNSA

ChEMBL:

CHEMBL2260697

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).