BioLiP

PDB

BioLiP

PDB CCD ID:

A1BT4

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,(H,9,10)

InChIKey:

VRWFXRMPZMWPKH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	C1=CC(=O)NC=C1OC(F)F
CACTVS 3.385	FC(F)OC1=CNC(=O)C=C1
ACDLabs 14.52	O=C1C=CC(OC(F)F)=CN1

Name:

5-(difluoromethoxy)pyridin-2(1H)-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).