BioLiP

PDB

BioLiP

PDB CCD ID:

F9A

Number of entries in BioLiP:

Chemical formula:

C17 H17 F3 N2 O

InChI:

InChI=1S/C17H17F3N2O/c1-22(2)11-12-6-5-7-13(10-12)21-16(23)14-8-3-4-9-15(14)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)

InChIKey:

JOBMMUWJHLRXCZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CN(C)Cc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F
CACTVS 3.352	CN(C)Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1

Name:

N-{3-[(dimethylamino)methyl]phenyl}-2-(trifluoromethyl)benzamide

ZINC:

ZINC000047452658

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).