BioLiP

PDB

BioLiP

PDB CCD ID:

UK5

Number of entries in BioLiP:

Chemical formula:

C9 H7 N O2

InChI:

InChI=1S/C9H7NO2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H

InChIKey:

AJTLULFWRGRNEZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=O)C=CN2O
CACTVS 3.385	ON1C=CC(=O)c2ccccc12

Name:

1-oxidanylquinolin-4-one

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).