BioLiP

PDB

BioLiP

PDB CCD ID:

A1AYZ

Number of entries in BioLiP:

Chemical formula:

C7 H6 F3 N O2

InChI:

InChI=1S/C7H6F3NO2/c1-3-2-4(6(11)12)5(13-3)7(8,9)10/h2H,1H3,(H2,11,12)

InChIKey:

NXCKENOPYUWPSU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(c(o1)C(F)(F)F)C(=O)N
CACTVS 3.385	Cc1oc(c(c1)C(N)=O)C(F)(F)F
ACDLabs 12.01	O=C(N)c1cc(C)oc1C(F)(F)F

Name:

5-methyl-2-(trifluoromethyl)furan-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).