BioLiP

PDB

BioLiP

PDB CCD ID:

A1AM5

Number of entries in BioLiP:

Chemical formula:

C9 H10 F3 N

InChI:

InChI=1S/C9H10F3N/c1-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,6H2,1H3

InChIKey:

YMSMEZAYZIYFGA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385 OpenEye OEToolkits 2.0.7	CNCc1ccc(cc1)C(F)(F)F

Name:

N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine

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).