BioLiP

PDB

BioLiP

PDB CCD ID:

JBE

Number of entries in BioLiP:

Chemical formula:

C5 H5 N3 O2

InChI:

InChI=1S/C5H5N3O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H,(H2,6,7)

InChIKey:

BPYHGTCRXDWOIQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ncccc1[N+]([O-])=O
OpenEye OEToolkits 2.0.7	c1cc(c(nc1)N)[N+](=O)[O-]

Name:

3-nitropyridin-2-amine

ZINC:

ZINC000019596908

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).