BioLiP

PDB

BioLiP

PDB CCD ID:

8PJ

Number of entries in BioLiP:

Chemical formula:

C5 H4 N2 O3

InChI:

InChI=1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-3H,(H,6,8)

InChIKey:

BOAFCICMVMFLIT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(c(nc1)O)[N+](=O)[O-]
CACTVS 3.385	Oc1ncccc1[N+]([O-])=O

Name:

3-nitropyridin-2-ol

ZINC:

ZINC000008698093

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).