BioLiP

PDB

BioLiP

PDB CCD ID:

A1IAX

Number of entries in BioLiP:

Chemical formula:

C7 H6 N2 O4

InChI:

InChI=1S/C7H6N2O4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,8H2,(H,10,11)

InChIKey:

JJPIVRWTAGQTPQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1)[N+](=O)[O-])N)C(=O)O
CACTVS 3.385	Nc1c(cccc1[N+]([O-])=O)C(O)=O

Name:

2-azanyl-3-nitro-benzoic acid;
2-amino-3-nitrobenzoic acid

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).