BioLiP

PDB

BioLiP

PDB CCD ID:

Y3N

Number of entries in BioLiP:

Chemical formula:

C10 H7 F3 N2 O

InChI:

InChI=1S/C10H7F3N2O/c1-6(16)15-9-3-2-7(5-14)4-8(9)10(11,12)13/h2-4H,1H3,(H,15,16)

InChIKey:

OBFBGHKUUCGSPC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccc(cc1C(F)(F)F)C#N
ACDLabs 12.01	O=C(C)Nc1ccc(cc1C(F)(F)F)C#N

Name:

N-[4-cyano-2-(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).