BioLiP

PDB

BioLiP

PDB CCD ID:

SSY

Number of entries in BioLiP:

Chemical formula:

C10 H8 F3 N O2

InChI:

InChI=1S/C10H8F3NO2/c1-6(15)7-3-2-4-8(5-7)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)

InChIKey:

QJIHIZOVLAWHFM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(=O)c1cccc(c1)NC(=O)C(F)(F)F
CACTVS 3.385	CC(=O)c1cccc(NC(=O)C(F)(F)F)c1

Name:

~{N}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide

ZINC:

ZINC000000035855

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).