BioLiP

PDB

BioLiP

PDB CCD ID:

4PO

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O2

InChI:

InChI=1S/C10H14N2O2/c1-10(2,3)12(14)8-9-4-6-11(13)7-5-9/h4-8H,1-3H3/b12-8-

InChIKey:

RNRMWTCECDHNQU-WQLSENKSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(C)(C)/[N+](=C/c1cc[n+](cc1)[O-])/[O-]
OpenEye OEToolkits 1.7.0	CC(C)(C)[N+](=Cc1cc[n+](cc1)[O-])[O-]
CACTVS 3.352	CC(C)(C)[N+]([O-])=Cc1cc[n+]([O-])cc1
CACTVS 3.352	CC(C)(C)[N+](/[O-])=C/c1cc[n+]([O-])cc1

Name:

alpha-(4-pyridyl-1-oxide)-N-tert-butylnitrone;
4-POBN

ZINC:

ZINC000000403577

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).