BioLiP

PDB

BioLiP

PDB CCD ID:

JBK

Number of entries in BioLiP:

Chemical formula:

C6 H6 N2 O3

InChI:

InChI=1S/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2

InChIKey:

KUCWUAFNGCMZDB-UHFFFAOYSA-N

SMILES:

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

Name:

2-azanyl-3-nitro-phenol

ZINC:

ZINC000004272219

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).