BioLiP

PDB

BioLiP

PDB CCD ID:

A1I22

Number of entries in BioLiP:

Chemical formula:

C6 H4 F3 N O

InChI:

InChI=1S/C6H4F3NO/c7-6(8,9)4-2-1-3-5(11)10-4/h1,3H,2H2

InChIKey:

GEAZDKVRHATOJF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	FC(F)(F)C1=NC(=O)C=CC1
OpenEye OEToolkits 2.0.7	C1C=CC(=O)N=C1C(F)(F)F

Name:

2-(trifluoromethyl)-3~{H}-pyridin-6-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).