BioLiP

PDB

BioLiP

PDB CCD ID:

NXE

Number of entries in BioLiP:

Chemical formula:

C6 H5 F3 N2 O2

InChI:

InChI=1S/C6H5F3N2O2/c1-3(12)10-5-2-4(11-13-5)6(7,8)9/h2H,1H3,(H,10,12)

InChIKey:

KKHMJANPVRFCAR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)Nc1cc(no1)C(F)(F)F
CACTVS 3.385	CC(=O)Nc1onc(c1)C(F)(F)F

Name:

~{N}-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethanamide

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).