BioLiP

PDB

BioLiP

PDB CCD ID:

YYI

Number of entries in BioLiP:

Chemical formula:

C6 H5 F2 N O2

InChI:

InChI=1S/C6H5F2NO2/c7-6(8)11-4-1-2-5(10)9-3-4/h1,3,6H,2H2

InChIKey:

GHNMFZNIJUOKAG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C=C(C=NC1=O)OC(F)F
CACTVS 3.385	FC(F)OC1=CCC(=O)N=C1
ACDLabs 12.01	O=C1CC=C(OC(F)F)C=N1

Name:

5-(difluoromethoxy)pyridin-2(3H)-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).