BioLiP

PDB

BioLiP

PDB CCD ID:

M6U

Number of entries in BioLiP:

Chemical formula:

C15 H14 F3 N3 O

InChI:

InChI=1S/C15H14F3N3O/c1-2-10-6-7-19-9-12(10)21-14(22)8-11-4-3-5-13(20-11)15(16,17)18/h3-7,9H,2,8H2,1H3,(H,21,22)

InChIKey:

WFXWGHHTPVLTRG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCc1ccncc1NC(=O)Cc2cccc(n2)C(F)(F)F
ACDLabs 12.01	FC(F)(F)c1cccc(CC(=O)Nc2cnccc2CC)n1

Name:

N-(4-ethylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]acetamide

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).