BioLiP

PDB

BioLiP

PDB CCD ID:

KQL

Number of entries in BioLiP:

Chemical formula:

C15 H13 F3 N2 O

InChI:

InChI=1S/C15H13F3N2O/c1-10-5-6-19-9-13(10)20-14(21)8-11-3-2-4-12(7-11)15(16,17)18/h2-7,9H,8H2,1H3,(H,20,21)

InChIKey:

XYFCSWHALYQBPC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	Cc1ccncc1NC(=O)Cc2cccc(c2)C(F)(F)F
ACDLabs 12.01	O=C(Nc1cnccc1C)Cc1cccc(c1)C(F)(F)F

Name:

N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]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).