BioLiP

PDB

BioLiP

PDB CCD ID:

46R

Number of entries in BioLiP:

Chemical formula:

C6 H5 F3 N2 O2

InChI:

InChI=1S/C6H5F3N2O2/c7-6(8,9)3-10-5(12)4-1-2-13-11-4/h1-2H,3H2,(H,10,12)

InChIKey:

OOPKAKDUIYDDGZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	FC(F)(F)CNC(=O)c1ccon1
OpenEye OEToolkits 1.9.2	c1conc1C(=O)NCC(F)(F)F
ACDLabs 12.01	O=C(NCC(F)(F)F)c1nocc1

Name:

N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide

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).